3-氨基-N-丁基苯甲酰胺 | 6837-99-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-氨基-N-丁基苯甲酰胺
• 英文名称: N-n-butyl 3-aminobenzamide
• 英文别名: 3-amino-N-butylbenzamide
• CAS: 6837-99-6
• 化学式: C₁₁H₁₆N₂O
• 分子量: 192.261
• InChiKey: KHNPBDZUBXOTRQ-UHFFFAOYSA-N

物化性质

• 熔点：
  112-113 °C
• 沸点：
  374.3±25.0 °C(Predicted)
• 密度：
  1.058±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2924299090
• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Amino-N-butylbenzamide
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 3-Amino-N-butylbenzamide
CAS number: 6837-99-6

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C11H16N2O
Molecular weight: 192.3

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-溴丙酰溴 、 3-氨基-N-丁基苯甲酰胺 以 N,N-二甲基甲酰胺 为溶剂， 生成 3-(2-bromopropanoylamino)-N-butylbenzamide
  参考文献：
  名称：

  3-(2′-Bromopropionylamino)-benzamides as novel S-phase arrest agents

  摘要：

  We report the synthesis, anti proliferative activity, and SAR of novel 3-(2'-bromopropionylamino)-benzamides. Many of the benzamide compounds showed potent cytotoxicities against Molt-3 leukemia cells. Several compounds exihibited cytotoxicities (under 6.5 mu M) against five solid tumor cell lines. The mechanism of action of the most potent benzamide 101 does not involve targeting on tubulin but it causes cell cycle S-phase arrest. This active S-phase arrest agent merits further investigation. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.016
• 作为产物：
  描述：

  N-N-丁基-3-硝基苯甲酰胺 在 tin(ll) chloride 作用下， 以 乙醇 为溶剂， 生成 3-氨基-N-丁基苯甲酰胺
  参考文献：
  名称：

  3-(2′-Bromopropionylamino)-benzamides as novel S-phase arrest agents

  摘要：

  We report the synthesis, anti proliferative activity, and SAR of novel 3-(2'-bromopropionylamino)-benzamides. Many of the benzamide compounds showed potent cytotoxicities against Molt-3 leukemia cells. Several compounds exihibited cytotoxicities (under 6.5 mu M) against five solid tumor cell lines. The mechanism of action of the most potent benzamide 101 does not involve targeting on tubulin but it causes cell cycle S-phase arrest. This active S-phase arrest agent merits further investigation. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.016

文献信息

• Thermosensitive recording material and novel color developer compounds
  申请人：OJI PAPER CO., LTD.

  公开号：EP1264707A3

  公开（公告）日：2004-05-19

  Disclosed is a thermosensitive recording material comprising a sheet-shaped support and a thermosensitive recording layer which is formed on at least one surface of the support and comprises a colorless or light-colored dye precursor and a color developer capable of reacting with the dye precursor and inducing color formation therein upon application of heat thereto, the color developer comprising a compound represented by the following formula (I) or analog thereof::The thermosensitive recording material has high sensitivity and can prevent white background portions from coloring and recorded images from decolorizing in an environmental resistance test.

  本发明揭示了一种热敏记录材料，包括一种片状支撑和一种热敏记录层，该热敏记录层形成在支撑的至少一个表面上，并包括一种无色或浅色染料前体和一种能够与染料前体反应并在施加热量后在其中诱导颜色形成的显色剂，其中显色剂包括由以下化学式(I)或其类似物表示的化合物：该热敏记录材料具有高灵敏度，并且可以防止白色背景部分着色和记录图像在环境抗性测试中褪色。
• [EN] BENZAMIDE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE<br/>[FR] MEDICAMENT A BASE DE BENZAMIDE, DESTINE AU TRAITEMENT DES AFFECTIONS INFLAMMATOIRES DE L'INTESTIN
  申请人：CENTAUR PHARMACEUTICALS, INC.

  公开号：WO1999059569A1

  公开（公告）日：1999-11-25

  (EN) Benzamides are disclosed to be useful for treating and preventing inflammatory bowel disease.(FR) L'invention concerne des benzamides qui sont utiles pour traiter ou prévenir les affections inflammatoires de l'intestin.

  （中）揭示了苯甲酰胺类化合物可用于治疗和预防炎症性肠病。
• Novel guanidine-Based inhibitors of inosine monophosphate dehydrogenase
  作者：Edwin J. Iwanowicz、Scott H. Watterson、Chunjian Liu、Henry H. Gu、Toomas Mitt、Katerina Leftheris、Joel C. Barrish、Catherine A. Fleener、Katherine Rouleau、N.Z. Sherbina、Diane L. Hollenbaugh

  DOI：10.1016/s0960-894x(02)00600-5

  日期：2002.10

  A series of novel guanidine-based small molecule inhibitors of inosine monophosphate dehydrogenase (IMPDH) was explored. IMPDH catalyzes the rate determining step in guanine nucleotide biosynthesis and is a target for anticancer, immunosuppressive and antiviral therapy. The synthesis and the structure-activity relationships (SARs), derived from in vitro studies, for this new series of inhibitors is given. (C) 2002 Elsevier Science Ltd. All rights reserved.
• BENZAMIDE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE
  申请人：CENTAUR PHARMACEUTICALS, INC.

  公开号：EP1079820A1

  公开（公告）日：2001-03-07
• METHODS FOR THE TREATMENT OF PAIN AND TRAUMATIC INJURY USING BENZAMIDES AND COMPOSITIONS CONTAINING THE SAME
  申请人：Renovis, Inc.

  公开号：EP1581202A2

  公开（公告）日：2005-10-05