3-氨基羰基-1H-吲哚-5-氯化铵 | 306936-36-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: 3-氨基羰基-1H-吲哚-5-氯化铵
• 中文别名: 3-(甲酰氨基)-1H-吲哚-5-胺盐酸盐半水合物
• 英文名称: 5-amino-1H-indole-3-carboxamide hydrochloride
• 英文别名: (5-amino-1H-indole-3-carbonyl)azanium;chloride
• CAS: 306936-36-7
• 化学式: C₉H₉N₃O*ClH
• 分子量: 211.651
• InChiKey: GCGFMKAKROLCMQ-UHFFFAOYSA-N

物化性质

• 熔点：
  296 °C

计算性质

• 辛醇/水分配系数(LogP)：
  1.27
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  84.9
• 氢给体数：
  4
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2933990090

SDS

Name:	3-(Aminocarbonyl)-1H-indol-5-aminium chloride tech Material Safety Data Sheet
Synonym:	5-Amino-1H-indole-3-carboxamide hydrochlorid
CAS:	306936-36-7

Section 1 - Chemical Product MSDS Name:3-(Aminocarbonyl)-1H-indol-5-aminium chloride tech Material Safety Data Sheet
Synonym:5-Amino-1H-indole-3-carboxamide hydrochlorid

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
306936-36-7	3-(Aminocarbonyl)-1H-indol-5-aminium c	97%	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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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.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
Notes to Physician:
Treat symptomatically and supportively.

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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.
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.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 306936-36-7: Personal Protective Equipment Eyes: Not available.
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: light brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 296 - 298 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C9H10ClN3O
Molecular Weight: 212

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 306936-36-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-(Aminocarbonyl)-1H-indol-5-aminium chloride - Not listed by ACGIH, IARC, or NTP.

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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
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 306936-36-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 306936-36-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 306936-36-7 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

反应信息

• 作为反应物：
  描述：

  3-氨基羰基-1H-吲哚-5-氯化铵 、 BOC-L-苯丙氨酸 在 N-甲基吗啉 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 14.0h， 生成
  参考文献：
  名称：

  WO2008/157162

  摘要：

  公开号：

文献信息

• DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS
  申请人：Pinto Donald J.P.

  公开号：US20100173899A1

  公开（公告）日：2010-07-08

  Disclosed are novel dipeptide analogs compounds of Formula (I), (II) or (III): or a stereoisomer, a tautomer, a pharmaceutically acceptable salt, a solvate, or a prodrug thereof, which are inhibitors of factor XIa and/or plasma kallikrein, compositions containing them, and methods of using them, for example, for the treatment or prophylaxis of thrombotic diseases.

  本发明涉及化合物的新型二肽类似物，其化学式为(I)、(II)或(III)：或其立体异构体、互变异构体、药学上可接受的盐、溶剂化物或前药，其为血凝酶因子XIa和/或血浆卡利肌酶的抑制剂，含有它们的组合物以及使用它们的方法，例如用于治疗或预防血栓性疾病。
• US8367709B2
  申请人：——

  公开号：US8367709B2

  公开（公告）日：2013-02-05
• [EN] DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS<br/>[FR] ANALOGUES DIPEPTIDIQUES COMME INHIBITEURS DE FACTEURS DE COAGULATION
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2008157162A1

  公开（公告）日：2008-12-24

  [EN] Disclosed are novel dipeptide analogs compounds of Formula (I), (II) or (III) or a stereoisomer, a tautomer, a pharmaceutically acceptable salt, a solvate, or a prodrug thereof, which are inhibitors of factor XIa and/or plasma kallikrein, compositions containing them, and methods of using them, for example, for the treatment or prophylaxis of thrombotic diseases.
  [FR] La présente invention concerne de nouveaux composés analogues de dipeptide de formule (I), (II) ou (III) ou un stéréoisomère, un tautomère, un sel pharmaceutiquement acceptable, un solvate, ou un promédicament de ceux-ci, qui sont des inhibiteurs du facteur XIa et/ou de la kallicréine plasmique. L'invention concerne également des compositions les contenant, et des procédés pour les utiliser, par exemple, pour le traitement ou la prophylaxie de maladies thrombotiques.
• WO2008/157162
  申请人：——

  公开号：——

  公开（公告）日：——