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异氰酸甲酯 | 624-83-9

中文名称
异氰酸甲酯
中文别名
(甲基亚氨基)(氧代)甲烷
英文名称
methyl isocyanate
英文别名
isocyanatomethane;methylimino(oxo)methane
异氰酸甲酯化学式
CAS
624-83-9
化学式
C2H3NO
mdl
——
分子量
57.0519
InChiKey
HAMGRBXTJNITHG-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    1.1
  • 重原子数:
    4
  • 可旋转键数:
    0
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.5
  • 拓扑面积:
    29.4
  • 氢给体数:
    0
  • 氢受体数:
    2

ADMET

代谢
S-(N-甲基甲酰胺基)谷胱甘肽,一种具有化学活性的谷胱甘肽结合物,已从接受甲基异氰酸酯处理的大鼠胆汁中分离出来……。在体外评估了这种谷胱甘肽加合物向半胱酸的自由巯基提供N-甲基甲酰胺基团的能力……。谷胱甘肽加合物在缓冲介质中(pH 7.4,37°C)与半胱酸迅速反应,2小时后,42.5%的底物以S-(N-甲基甲酰胺基)半胱酸的形式存在。反向反应,即半胱酸加合物与自由谷胱甘肽之间的反应,在这些条件下也容易发生。因此得出结论,体内甲基异氰酸酯谷胱甘肽的结合产生了一种反应性的S-链接产物,具有碳酰胺化亲核氨基酸的潜力。
S-(N-methylcarbamoyl)glutathione, a chemically-reactive glutathione conjugate, has been isolated from the bile of rats administered methyl isocyanate ... . The ability of this glutathione adduct to donate an N-methylcarbamoyl moiety to the free sulfhydryl group of cysteine was evaluated in vitro... . The glutathione adduct reacted readily with cysteine in buffered aqueous media (pH 7.4, 37 degrees C) and after 2 hr, 42.5% of the substrate existed in the form of S-(N-methylcarbamoyl)cysteine. The reverse reaction, ie between the cysteine adduct and free glutathione, also took place readily under these conditions. It is concluded that conjugation of methyl isocyanate with glutathione in vivo affords a reactive S-linked product which displays the potential to carbamoylate nucleophilic amino acids.
来源:Hazardous Substances Data Bank (HSDB)
代谢
S-(N-甲基carbamoyl)-N-乙酰半胱酸,一种化学不稳定的巯基尿酸共轭物,在大鼠腹腔注射甲基异氰酸酯(45.2 umol)的尿液中被发现...然而,相应的半胱酸共轭物在尿液中未被检测到。...注射的甲基异氰酸酯剂量中,出现在24小时内尿液中的S-(N-甲基carbamoyl)-N-乙酰半胱酸的分数...是24.8 +/- 1.9%(平均值+/-标准差,N=4)。...因此,甲基异氰酸酯谷胱甘肽的结合,随后代谢形成的S-(N-甲基carbamoyl)-N-乙酰半胱酸加合物...在大鼠体内似乎代表了一种生物转化甲基异氰酸酯的重要途径。然而,考虑到已知的S-链接的甲基异氰酸酯共轭物的基甲酰化性质和体外细胞毒性,谷胱甘肽代谢途径在甲基异氰酸酯的情况下完成传统解毒作用的可能性似乎不大。相反,提出氨基甲酸酯共轭物可以在生理条件下自发地逆转为自由的甲基异氰酸酯,这实际上可能有助于这种高度有毒异氰酸酯在体内的多系统不良反应。
S-(N-Methylcarbamoyl)-N-acetylcysteine, a chemically labile mercapturic acid conjugate, was identified ... in the urine of rats dosed ip with methyl isocyanate (45.2 umol). The corresponding cysteine conjugate, however, was not detected in urine. ... The fraction of the injected dose of methyl isocyanate which appeared in 24 hr urine as S-(N-Methylcarbamoyl)-N-acetylcysteine ... was 24.8 +/- 1.9% (mean +/- SD, N=4). Thus, conjugation of methyl isocyanate with glutathione, followed by metabolism of the resulting S-(N-Methylcarbamoyl)-N-acetylcysteine adduct ... appears to represent a quantitatively important pathway of biotransformation of methyl isocyanate in the rat. However, in view of the known carbamoylating properties and in vitro cytotoxicity of S-linked conjugates of methyl isocyanate, it seems unlikely that the glutathione pathway of metabolism fulfills a conventional detoxification role in the case of methyl isocyanate. In contrast, it is proposed that carbamate thioester conjugates of methyl isocyanate, which can revert spontaneously to free methyl isocyanate under physiological conditions may actually contribute to the multisystem adverse effects of this highly toxic isocyanate in vivo.
来源:Hazardous Substances Data Bank (HSDB)
代谢
... 甲异氰酸酯在吸入后容易在肺部形成谷胱甘肽结合物。从那里,这种结合物被分布到其他组织,其中反应性的亲电性母化合物可能被再生。这类结合物被认为是毒物的运输形式。
... Methylisocyanate readily forms a glutathione conjugate in the lung after inhalation. From there, the conjugate is distributed to other tissues, where the reactive electrophilic parent cmpd may be regenerated. Such conjugates are considered transport forms of toxicants.
来源:Hazardous Substances Data Bank (HSDB)
代谢
单甲基胺、双甲基胺和三甲基胺是内源性物质,也是1984年印度博帕尔事故中涉及的甲基异氰酸盐的代谢物。
Monomethylamine, dimethylamine, and trimethylamine are endogenous substances as well as metabolites of methyl isocyanate, the /cmpd/ involved in the 1984 accident at Bhopal, India.
来源:Hazardous Substances Data Bank (HSDB)
代谢
甲基异氰酸酯是n-甲基甲酰胺的人类已知代谢物。
Methyl Isocyanate is a known human metabolite of n-methylformamide.
来源:NORMAN Suspect List Exchange
毒理性
  • 毒性总结
化物是电子传递链第四个复合体中细胞色素c氧化酶的抑制剂(存在于真核细胞线粒体膜中)。它与这种酶中的原子形成复合物。化物与这种细胞色素的结合阻止了电子从细胞色素c氧化酶传递到氧气。因此,电子传递链被中断,细胞无法再通过有氧呼吸产生ATP能量。主要依赖有氧呼吸的组织,如中枢神经系统和心脏,受到的影响尤为严重。化物也通过结合过氧化氢酶谷胱甘肽过氧化物酶、变性血红蛋白、羟胺素、磷酸酶、酪氨酸酶抗坏血酸氧化酶黄嘌呤氧化酶、琥珀酸脱氢酶和Cu/Zn超氧化物歧化酶来产生一些毒性效应。化物与变性血红蛋白中的离子结合,形成无活性的化变性血红蛋白。(L97)
Cyanide is an inhibitor of cytochrome c oxidase in the fourth complex of the electron transport chain (found in the membrane of the mitochondria of eukaryotic cells). It complexes with the ferric iron atom in this enzyme. The binding of cyanide to this cytochrome prevents transport of electrons from cytochrome c oxidase to oxygen. As a result, the electron transport chain is disrupted and the cell can no longer aerobically produce ATP for energy. Tissues that mainly depend on aerobic respiration, such as the central nervous system and the heart, are particularly affected. Cyanide is also known produce some of its toxic effects by binding to catalase, glutathione peroxidase, methemoglobin, hydroxocobalamin, phosphatase, tyrosinase, ascorbic acid oxidase, xanthine oxidase, succinic dehydrogenase, and Cu/Zn superoxide dismutase. Cyanide binds to the ferric ion of methemoglobin to form inactive cyanmethemoglobin. (L97)
来源:Toxin and Toxin Target Database (T3DB)
毒理性
  • 致癌物分类
对人类不具有致癌性(未被国际癌症研究机构IARC列名)。
No indication of carcinogenicity to humans (not listed by IARC).
来源:Toxin and Toxin Target Database (T3DB)
毒理性
  • 健康影响
短时间内接触高浓度的化物会对大脑和心脏造成伤害,甚至可能导致昏迷、癫痫、呼吸暂停、心脏骤停和死亡。长期吸入化物会引起呼吸困难、胸痛、呕吐、血象改变、头痛和甲状腺肿大。皮肤接触化物盐可能会引起刺激并产生溃疡。
Exposure to high levels of cyanide for a short time harms the brain and heart and can even cause coma, seizures, apnea, cardiac arrest and death. Chronic inhalation of cyanide causes breathing difficulties, chest pain, vomiting, blood changes, headaches, and enlargement of the thyroid gland. Skin contact with cyanide salts can irritate and produce sores. (L96, L97)
来源:Toxin and Toxin Target Database (T3DB)
毒理性
  • 暴露途径
这种物质可以通过吸入、皮肤接触和摄入被身体吸收。
The substance can be absorbed into the body by inhalation, through the skin and by ingestion.
来源:ILO-WHO International Chemical Safety Cards (ICSCs)
毒理性
  • 暴露途径
吸入,皮肤吸收,吞食,皮肤和/或眼睛接触
inhalation, skin absorption, ingestion, skin and/or eye contact
来源:The National Institute for Occupational Safety and Health (NIOSH)
吸收、分配和排泄
...雌性Wistar大鼠通过腹腔注射或吸入暴露于(14)C标记的甲基异氰酸盐,并在血液、大脑、肝脏、肾脏和肺组织中测定了自由放射性和蛋白质结合放射性。...在注射15和30毫克/千克的甲基异氰酸剂量下,所有组织在30分钟内都存在自由和蛋白质结合的放射性。两种放射性形式在各组织中的相对活性从高到低的顺序是肾脏、肝脏、肺、大脑、血液溶血剂。在大脑中,放射性在10天期间保持恒定,而其他组织的活性降低。放射性存在于血液蛋白的珠蛋白部分和血液及组织蛋白的己内酰胺部分。通过吸入暴露于甲基异氰酸产生了相似的结果。
... Female Wistar rats were given (14)C labeled /methyl isocyanate/ by ip injection or inhalation exposure, and free and protein bound radioactivity was determined in blood, brain, liver, kidney and lung samples. ... Free and protein bound radioactivity were present in all tissues within 30 minutes of the injection of methyl isocyanate at doses of 15 and 30 mg/kg. The relative order of activity in the tissues for both forms of radioactivity from highest to lowest was kidneys, liver, lung, brain, blood hemolysate. Brain radioactivity remained constant over a 10 day period during which the activity of the other tissues decreased. Radioactivity was present in the globin fractions of blood proteins and the hydantoin fractions of blood and tissue proteins. Methyl isocyanate exposure by inhalation produced comparable results.
来源:Hazardous Substances Data Bank (HSDB)
吸收、分配和排泄
甲氰菊酯的吸收和分布在大鼠和小鼠中进行了研究。雄性英国大鼠...暴露于0.5至15 ppm的(14)C标记甲氰菊酯蒸气中1至6小时。...雄性和怀孕的雌性瑞士韦伯斯特小鼠暴露于2.10 ppm的(14)C标记甲氰菊酯6小时。...在暴露后的几分钟内,即可在静脉和动脉血液中检测到甲氰菊酯衍生的(14)C活性;然而,通过气管插管暴露的动物血液中甲氰菊酯的浓度远低于正常呼吸的动物。甲氰菊酯从血液中清除缓慢;大部分在3天内清除。甲氰菊酯从尿液中清除的速度比从胆汁中快。雄性小鼠暴露后2小时,甲氰菊酯浓度最高的部位是肺、胸骨、胃肠、脾和肾。暴露24小时后,甲氰菊酯浓度最高的部位是血液和肺。在雌性小鼠中,暴露后2小时甲氰菊酯浓度最高的部位是肺、胎儿、脾、子宫和肾。24小时后,甲氰菊酯浓度最高的部位是肺、脾和胎儿。/研究/得出结论,吸入的甲氰菊酯会迅速进入血液。这种吸收在正常动物中比通过气管插管呼吸的动物要高得多。
The uptake and distribution of methyl isocyanate were studied in guinea pigs and mice. Male English guinea pigs ... were exposed to 0.5 to 15 ppm of (14)C labeled methyl isocyanate vapor for 1 to 6 hours. ... . Male and pregnant female Swiss Webster mice were exposed to 2.10 ppm of (14)C labeled methyl isocyanate for 6 hours. ... Methyl isocyanate derived (14)C activity was detected in venous and arterial blood within minutes of exposure; however, blood methyl isocyanate concentrations in animals exposed by way of the tracheal cannula were much lower than in those which breathed normally. Methyl isocyanate was cleared slowly from the blood; most of it was cleared within 3 days. Methyl isocyanate was cleared more rapidly from the urine than from bile. The highest concentrations of methyl isocyanate in male mice 2 hours after exposure were found in the lung, sternum, gastrointestinal tract, spleen, and kidney. Twenty four hours after exposure, highest methyl isocyanate concentrations were in the blood and lung. In female mice the highest concentrations at 2 hours after exposure were found in the lung, fetus, spleen, uterus, and kidney. After 24 hours the highest concentrations were in the lung, spleen, and fetus. /It was/ concluded that inhaled methyl isocyanate is taken up rapidly in the blood. This uptake is much higher in normal animals than in those breathing through a tracheal tube.
来源:Hazardous Substances Data Bank (HSDB)
吸收、分配和排泄
这种物质可以通过吸入、皮肤接触和摄入被身体吸收。
The substance can be absorbed into the body by inhalation, through the skin and by ingestion.
来源:Hazardous Substances Data Bank (HSDB)
吸收、分配和排泄
通过对放射性标记的甲基异氰酸酯(MIC)的使用,人们已经直接检查了这种高度反应性化合物在呼吸道和组织细胞平上的沉积、渗透和清除情况。豚鼠暴露于浓度范围为0.38至15.2 ppm的14C-MIC蒸气中,暴露时间为1-6小时。来自这些动物的组织的溶解显示出呼吸道组织具有最高的放射性平。在鼻腔区域,通过组织自放射性成像监测到的14C沉积限于上皮层,与剂量有关,并且取决于特定的上皮细胞类型。鳞状上皮表面标记最少,且标记未渗透到细胞层。然而,在整个鼻腔呼吸上皮层中都检测到了放射性。气管切开动物中鼻腔沉积的缺乏表明,鼻腔区域的这种14C积累是由于鼻腔区域的洗涤作用,而没有来自血液再循环的贡献。在气管支气管区域的细胞定位显示了上皮和上皮下沉积以剂量依赖性方式,标记在上皮下区域积累。放射性渗透到终末细支气管平,但在肺泡区域未检测到。在暴露后48小时内监测到的呼吸道放射性的持续存在表明呼吸道大分子的共价修饰。尽管MIC具有广泛的特异性和高度的活性,但它在大气道中发生的选择性反应取决于呼吸区域和细胞类型。
Through the use of radioactively labeled methyl isocyanate (MIC), the deposition, penetration, and clearance of this highly reactive compound in the airway at the tissue and cellular levels have been directly examined. Guinea pigs were exposed to 14C-MIC vapors at concentrations ranging from 0.38 to 15.2 ppm for periods of 1-6 hr. Solubilization of tissues from these animals showed the airway tissues to have the highest level of radioactivity. In the nasal region, 14C deposition, as monitored by histoautoradiography, was limited to the epithelial layer, was related to dose, and was dependent on the specific epithelial cell type. The squamous epithelium was minimally labeled on the surface and the label did not penetrate the cell layer. However, radioactivity was detected throughout the entire nasal respiratory epithelial layer. The lack of nasal deposition in tracheotomized animals demonstrated that the 14C accumulation at this site was due to the scrubbing action of the nasal region with no contribution from blood recirculation. Cellular localization in the tracheobronchial region showed epithelial and subepithelial deposition in a dose-dependent manner with accumulation of the label at the subepithelial region. Radioactivity penetrated to the level of the terminal bronchiole but was not detected in the alveolar region. The persistence of airway radioactivity over the 48-hr postexposure period monitored suggests the covalent modification of airway macromolecules. Despite its broad specificity and high reactivity, MIC undergoes selective reactions in the airways which are dependent on respiratory region and cell type.
来源:Hazardous Substances Data Bank (HSDB)

反应信息

  • 作为反应物:
    描述:
    异氰酸甲酯 在 sodium hydride 作用下, 以 四氢呋喃 为溶剂, 反应 48.08h, 以78%的产率得到1-(1-bromo-3-isopropyl-4-oxo-3,4-dihydro-phthalazin-6-yl)-3-methyl-urea
    参考文献:
    名称:
    Methods of inhibiting BTK and SYK protein kinases
    摘要:
    抑制酪氨酸激酶的方法,其中所述酪氨酸激酶是BTK或SYK,包括向需要的患者施用根据式I的化合物的治疗有效量。这些化合物可用于治疗自身免疫和炎症性疾病。
    公开号:
    US20070219195A1
  • 作为产物:
    描述:
    N-methyl-N-trimethylsilylcarbamic acid trimethylsilyl ester光气 作用下, 10.0~50.0 ℃ 、101.33 kPa 条件下, 反应 1.0h, 以99%的产率得到异氰酸甲酯
    参考文献:
    名称:
    使用邻甲硅烷基乙烷合成异氰酸酯的新方面
    摘要:
    O-甲硅烷基氨基甲酸酯中氮原子上的甲硅烷基极大地影响了热解过程,并使得人们可以简化异氰酸甲酯和三甲基甲硅烷基异氰酸酯的合成。
    DOI:
    10.1016/j.mencom.2017.01.033
  • 作为试剂:
    描述:
    氧化毒扁豆碱乙醚sodium异氰酸甲酯 作用下, 生成 毒扁豆碱
    参考文献:
    名称:
    Kobayashi, Justus Liebigs Annalen der Chemie, 1938, vol. 536, p. 143,156
    摘要:
    DOI:
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文献信息

  • Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds
    申请人:Abbott Laboratories
    公开号:US20040116518A1
    公开(公告)日:2004-06-17
    The present invention relates to novel cinnamide compounds that are useful for treating inflammatory and immune diseases and cerebral vasospasm, to pharmaceutical compositions containing these compounds, and to methods of inhibiting inflammation or suppressing immune response in a mammal.
    本发明涉及新型肉桂酰胺化合物,用于治疗炎症和免疫性疾病以及脑血管痉挛,以及含有这些化合物的药物组合物,以及在哺乳动物中抑制炎症或抑制免疫反应的方法。
  • [EN] ERK INHIBITORS<br/>[FR] INHIBITEURS D'ERK
    申请人:MERCK SHARP & DOHME
    公开号:WO2016100050A1
    公开(公告)日:2016-06-23
    The present invention provides a compound of Formula (I) or the pharmaceutically acceptable salts, esters, and prodrugs thereof, which are ERK2 inhibitors. The invention also provides a pharmaceutical composition comprising an effective amount of at least one compound of Formula (I) and a pharmaceutically acceptable carrier. The invention also provides a pharmaceutical composition comprising an effective amount of at least one compound of Formula (I) and an effective amount of at least one other pharmaceutically active ingredient (such as, for example, a chemotherapeutic agent), and a pharmaceutically acceptable carrier.
    本发明提供了一种化合物(I)或其药学上可接受的盐、酯和前药,这些化合物是ERK2抑制剂。该发明还提供了一种包括至少一种化合物(I)和药学上可接受的载体的有效量的药物组合物。该发明还提供了一种包括至少一种化合物(I)的有效量和至少一种其他药学活性成分的有效量(例如,化疗药物等)以及药学上可接受的载体的药物组合物。
  • Geometrical isomerism in the S-alkyl thiohydroximate series: a new oxime fragmentation
    作者:J. H. Davies、R. H. Davis、P. Kirby
    DOI:10.1039/j39680000431
    日期:——
    S-alkyl thiohydroximates from the results of Beckmann rearrangements on both geometrical isomers. The anti-(alkylthio)-isomers undergo fragmentation under Beckmann conditions. The syn-(alkylthio)-isomers may be converted to the anti-isomers by irradiation with u.v. light. Other evidence concerning the geometry of this series of compounds is discussed.
    根据两个几何异构体上贝克曼重排的结果,已将顺式(烷基)-构型分配给了S-烷基代氢氧酸酯的热力学稳定形式。的抗- (烷基) -异构体贝克曼条件下经受碎裂。的顺式- (烷基) -异构体可以被转换到反通过用UV光照射-异构体。讨论了有关这一系列化合物的几何形状的其他证据。
  • Aryl derivatives
    申请人:Burroughs Wellcome Co.
    公开号:US05036157A1
    公开(公告)日:1991-07-30
    Novel compounds of formula (I) Ar--(L--Ar').sub.q --(X).sub.k --(Y).sub.p --Q (I) wherein: k, p and q are independently 0 or 1; Ar represents either: (i) naphthyl, tetrahydronaphthyl, pyridyl or (ii) phenyl, optionally substituted, L is selected from --(CH.sub.2).sub.r -- (where r is 1-4), --O--, --CH.sub.2 O--, --CH.sub.2 S--, --OCH.sub.2 --, --CONH--, --NHCO--, --CO-- and --CH.sub.2 NH--, and, Ar' represents phenylene, thienylene or pyridylene optionally substituted, X represents oxygen, sulphur or carbonyl, Y is C.sub.1-10 alkylene or C.sub.1-10 alkenylene; Q represents a non-cyclic moiety selected from groups of formula ##STR1## in which one of m and n is 0 and the other is 1, R.sup.1 and R.sup.2 is selected from hydrogen, C.sub.1-4 alkyl, amino, C.sub.1-4 alkylamino, di-C.sub.1-4 alkylamino, C.sub.5-7 cycloalkylamino, C.sub.5-7 cycloalkyl (C.sub.1-4 alkyl) amino, anilino, N-C.sub.1-4 alkylanilino or Q represents a cyclic moiety selected from 1-hydroxy-1,3-dihydroimidazol-2-one and groups of formula ##STR2## in which Z represents a C.sub.2-5 alkylene chain in which one of the carbon atoms may be replaced by a hetero atom; and salts thereof.
    式(I) Ar--(L--Ar').sub.q --(X).sub.k --(Y).sub.p --Q (I)的新化合物,其中:k、p和q独立地为0或1;Ar表示:(i) 基、四氢基、吡啶基或(ii) 苯基,可选择地取代,L选自--(CH.sub.2).sub.r --(其中r为1-4)、--O--、--CH.sub.2 O--、--CH.sub.2 S--、--OCH.sub.2 --、--CONH--、--NHCO--、--CO--和--CH.sub.2 NH--,Ar'表示苯基、噻吩基或吡啶基,可选择地取代,X表示氧、或羰基,Y为C.sub.1-10烷基或C.sub.1-10烯基;Q表示从下式的基团中选择的非环状基团##STR1## 其中m和n中的一个为0,另一个为1,R.sup.1和R.sup.2选自氢、C.sub.1-4烷基、基、C.sub.1-4烷基基、二C.sub.1-4烷基基、C.sub.5-7环烷基基、C.sub.5-7环烷基(C.sub.1-4烷基)基、苯胺基、N-C.sub.1-4烷基苯胺基或Q表示从1-羟基-1,3-二氢咪唑-2-酮和下式的环状基团中选择的环状基团##STR2## 其中Z表示C.sub.2-5烷基链,其中一个碳原子可以被杂原子取代;及其盐。
  • Photodegradation of a 1,3,4-thiadiazole-urea herbicide. Isolation, characterization, X-ray crystal structure and synthesis of photoproducts
    作者:Allan R. Moorman、David C. Findak、Han San Ku
    DOI:10.1002/jhet.5570220360
    日期:1985.5
    The photodegradation of 1,3-dimethyl-1-(2-(3-fluorobenzylthio)-1,3,4-thiadiazol-5-yl)urea as a thin film and in solution is described. The two photoproducts from thin-film photolysis were characterized by spectral and synthetic methods. The X-ray crystal structure of one of the photoproducts is also reported. The rearrangements were shown to involve an S-to-N benzyl migration, followed by a sulfur-oxygen
    描述了1,3-二甲基-1-(2-(3-基)-1,3,4-噻二唑-5-基)作为薄膜和溶液的光降解作用。通过光谱和合成方法表征了薄膜光解的两种光产物。还报道了一种光产物的X射线晶体结构。已表明重排涉及从S到N苄基的迁移,然后是-氧取代。
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
hnmr
mass
cnmr
ir
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  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Shift(ppm)
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