盐酸庚胺醇 | 543-15-7

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - 氨基醇类衍生物
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 盐酸庚胺醇
• 中文别名: 6-氨基-2-甲基-2-庚醇盐酸盐；酸庚胺醇；盐酸辛胺醇
• 英文名称: 6-hydroxy-6-methyl-2-heptylamine hydrochloride
• 英文别名: 6-amino-2-methyl-2-heptanol hydrochloride；Heptaminol hydrochloride；heptaminol hydrochloride；heptaminol；6-amino-2-methyl-heptan-2-ol; hydrochloride；6-Amino-2-methyl-heptan-2-ol; Hydrochlorid；6-Amino-2-methylheptan-2-ol;hydron;chloride；6-amino-2-methylheptan-2-ol;hydron;chloride
• CAS: 543-15-7
• 化学式: C₈H₁₉NO*ClH
• mdl: MFCD00127893
• 分子量: 181.706
• InChiKey: JZNBMCOSOXIZJB-UHFFFAOYSA-N

物化性质

• 熔点：
  165-167 °C(lit.)
• 溶解度：
  易溶于水，溶于醇，几乎不溶于二氯甲烷。
• 碰撞截面：
  132.2 Ų [M+H-H2O]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
• 稳定性/保质期：
  按规格使用和贮存，不会发生分解，避免与氧化物接触。

计算性质

• 辛醇/水分配系数(LogP)：
  0.82
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  46.2
• 氢给体数：
  3
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S22,S24/25
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• RTECS号：
  MJ3240000
• 海关编码：
  2922199090
• 储存条件：
  储存于阴凉、干燥、通风良好的库房中。远离火种和热源，防止阳光直射，并确保包装密封。应将储存物品与酸类及食用化学品分开存放，切忌混储。同时，应在储区备有合适的材料以收容可能的泄漏物。

SDS

Name:	6-Amino-2-Methyl-2-Heptanol Hydrochloride 98+% (Titr.) Material Safety Data Sheet
Synonym:	Heptaminol Hydrochloride; Heptaminyl Hydrochloride; 2-Heptylamine
CAS:	543-15-7

Section 1 - Chemical Product MSDS Name:6-Amino-2-Methyl-2-Heptanol Hydrochloride 98+% (Titr.) Material Safety Data Sheet
Synonym:Heptaminol Hydrochloride; Heptaminyl Hydrochloride; 2-Heptylamine

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
543-15-7	6-Amino-2-methyl-2-heptanol hydrochlor	100.0	208-837-5

Hazard Symbols: XN
Risk Phrases: 22

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful if swallowed.The toxicological properties of this material have not been fully investigated.Hygroscopic (absorbs moisture from the air).
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 543-15-7: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: white to off-white
Odor: odorless
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 160 - 165 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: soluble
Specific Gravity/Density:
Molecular Formula: C8H19NO.HCl
Molecular Weight: 145.1391

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 543-15-7: MJ3240000 LD50/LC50:
Not available.
Carcinogenicity:
6-Amino-2-methyl-2-heptanol hydrochloride - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 22 Harmful if swallowed.
Safety Phrases:
WGK (Water Danger/Protection)
CAS# 543-15-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 543-15-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 543-15-7 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

生物活性方面，海普塔米醇盐酸盐（RP-2831盐酸盐）是一种血管收缩剂，具有研究低血压，尤其是直立性低血压的潜力。

反应信息

• 作为反应物：
  描述：

  盐酸庚胺醇 生成 6-Amino-2-methyl-1,2-heptanediol
  参考文献：
  名称：

  Chanoine; Strolin Benedetti; Ancher, Arzneimittel-Forschung/Drug Research, 1981, vol. 31, # 9, p. 1430 - 1435

  摘要：

  DOI：

文献信息

• New diamines and a process for their production
  申请人：Ciba-Geigy Corporation

  公开号：US04647699A1

  公开（公告）日：1987-03-03

  New aminoalkyl anilines having the formula: ##STR1## wherein k is 0 or 1; QNH.sub.2 is a residue of formula ##STR2## which is situated in one of the positions of the benzene ring ortho or para to the amino group and wherein n is an integer from 1 to 15, R.sub.1 is C.sub.1 -C.sub.8 alkyl, R.sub.2 is C.sub.1 -C.sub.4 alkyl or R.sub.1 and R.sub.2, together with the carbon atom to which they are attached, form a C.sub.5 -C.sub.8 cycloalkylene residue, R.sub.3 is H or C.sub.1 -C.sub.6 alkyl, C.sub.3 -C.sub.8 cycloalkyl, or C.sub.6 -C.sub.10 aryl; and R.sub.4 and R.sub.5 are H or C.sub.1 -C.sub.4 alkyl; as well as the corresponding salts of compounds of formula I with organic or inorganic acids and metal salt complexes; process for their production; and their use as intermediates for polyamides.

  新型氨基烷基苯胺，其具有以下公式：##STR1## 其中k为0或1；QNH.sub.2是位于苯环上与氨基基团相邻或对位的公式##STR2##的残基，且其中n为1至15的整数，R.sub.1为C.sub.1 -C.sub.8烷基，R.sub.2为C.sub.1 -C.sub.4烷基或R.sub.1和R.sub.2与它们所连接的碳原子共同形成一个C.sub.5 -C.sub.8环烷基残基，R.sub.3为H或C.sub.1 -C.sub.6烷基，C.sub.3 -C.sub.8环烷基，或C.sub.6 -C.sub.10芳基；R.sub.4和R.sub.5为H或C.sub.1 -C.sub.4烷基；以及与有机或无机酸以及金属盐配合物的公式I的相应盐；它们的制备过程；以及它们作为聚酰胺中间体的用途。
• [EN] PYRROLOPYRAZINE KINASE INHIBITORS<br/>[FR] INHIBITEURS DE PYRROLOPYRAZINE KINASE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2013030138A1

  公开（公告）日：2013-03-07

  The present invention relates to the use of novel pyrrolopyrazine derivatives of Formula I, wherein the variables are defined as described herein, which inhibit JAK and SYK and are useful for the treatment of auto-immune and inflammatory diseases.

  本发明涉及式I的新型吡咯并吡嗪衍生物的使用，其中变量如本文所述定义，其抑制JAK和SYK，并可用于治疗自身免疫和炎症性疾病。
• METHODS AND COMPOSITIONS FOR TREATING INFECTION
  申请人：UNIVERSITY OF ROCHESTER

  公开号：US20150238473A1

  公开（公告）日：2015-08-27

  Provided herein are compositions and methods for treating or preventing infection.

  本文提供了用于治疗或预防感染的组合物和方法。
• (S,S'),(S,R')-amphetaminil, compositions and uses thereof
  申请人：——

  公开号：US20030096004A1

  公开（公告）日：2003-05-22

  Pharmaceutical compositions comprising the active (S,R′),(S,S′) form of amphetaminil substantially free of (R,R′),(R,S′)-amphetaminil are described for the treatment of humans.

  描述了包含活性(S,R′),(S,S′)形式的安非他明的药物组合物，该药物组合物基本上不含(R,R′),(R,S′)-安非他明，用于治疗人类。
• Immunopotentiating inosine monophosphate 5'-nucleotidase resistant derivatives and uses thereof
  申请人：UNIVERSITY OF SOUTH FLORIDA

  公开号：EP1459760A9

  公开（公告）日：2005-01-12

  A method of making inosine-5'-monophosphate and its derivatives resistant to 5'-nucleotidase by chemically modifying inosine-5'-monophosphate to formula (I) wherein R is selected from the group consisting of an alkyl, alkoxy and secondary amino compounds whereby inosine-5'-monophosphate biological activity is retained in vivo.

  一种使肌醇核苷酸及其衍生物对5'-核苷酸酶具有抗性的方法，通过对肌醇核苷酸进行化学修饰，得到化学式(I)中的化合物，其中R从烷基、烷氧基和次氨基化合物组成的群体中选择，从而在体内保留肌醇核苷酸的生物活性。