8-甲基-8-叠氮双环[3.2.1!辛烷-3-胺二盐酸盐 | 646477-45-4

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 托烷生物碱
• 中文名称: 8-甲基-8-叠氮双环[3.2.1!辛烷-3-胺二盐酸盐
• 中文别名: 8-甲基-8-偶氮双环[3.2.1]辛烷-3-氨基双盐酸盐；8-甲基-8-氮杂双环桥[3,2,1]辛-3-基胺盐酸盐；8-甲基-8-氮杂双环[3,2,1]辛-3-胺盐酸盐
• 英文名称: 8-methyl-8-azabicyclo[3.2.1]octan-3-amine Dihydrochloride
• 英文别名: 8-methyl-8-azabicyclo[3.2.1]octan-3-amine;dihydrochloride
• CAS: 646477-45-4
• 化学式: C8H18Cl2N2
• 分子量: 213.15
• InChiKey: KVYQKWPZQKGICY-UHFFFAOYSA-N

物化性质

• 熔点：
  250 °C

计算性质

• 辛醇/水分配系数(LogP)：
  -7.56
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  32.1
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xn
• 危险类别码：
  R36/37/38,R22
• 海关编码：
  2933990090
• 安全说明：
  S22,S26,S36/37/39

SDS

Name:	8-Methyl-8-azabicyclo[3.2.1]octan-3-amine dihydrochloride 97% Material Safety Data Sheet
Synonym:	endo 3-Aminotropane dihydrochloride
CAS:	646477-45-4

Section 1 - Chemical Product MSDS Name:8-Methyl-8-azabicyclo[3.2.1]octan-3-amine dihydrochloride 97% Material Safety Data Sheet
Synonym:endo 3-Aminotropane dihydrochloride

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
646477-45-4	8-Methyl-8-azabicyclo[3.2.1]octan-3-am	97	unlisted

Hazard Symbols: C
Risk Phrases: 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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 foam, dry chemical, or carbon dioxide.

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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:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area. Store under an inert atmosphere.

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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# 646477-45-4: 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: cream
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 290 deg C(decom)
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: C8H18Cl2N2
Molecular Weight: 213.15

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Acid chlorides, oxidizing agents, acids.
Hazardous Decomposition Products:
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# 646477-45-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
8-Methyl-8-azabicyclo[3.2.1]octan-3-amine dihydrochloride - 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
Shipping Name: AMINES, SOLID, CORROSIVE, N.O.S.*
Hazard Class: 8
UN Number: 3259
Packing Group: III
IMO
Shipping Name: AMINES, SOLID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 3259
Packing Group: III
RID/ADR
Shipping Name: AMINES, SOLID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 3259
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 646477-45-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 646477-45-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 646477-45-4 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：

  2-((3S,5S)-3,5-dimethylmorpholino)benzoxazole-4-carboxylic acid 、 8-甲基-8-叠氮双环[3.2.1!辛烷-3-胺二盐酸盐 在 N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(3 S,5S)-3,5-dimethylmorpholino 作用下， 以to provide N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(3 S,5S)-3,5-dimethylmorpholino)benzoxazole-4-carboxamide, which的产率得到4-苯并噁唑羧酰胺
  参考文献：
  名称：

  2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS

  摘要：

  公式I、II和III的化合物被揭示为5-HT3抑制剂。这些化合物在治疗CINV、IBS-D和其他疾病和病况方面具有用途。

  公开号：

  US20080255114A1

文献信息

• 2-AMINOQUINOLINES
  申请人：Kolczewski Sabine

  公开号：US20090227570A1

  公开（公告）日：2009-09-10

  The present invention is concerned with 2-aminoquinoline derivatives of formula I where R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , A, and n are as defined in the specification and claims, their use 5-HT 5A receptor antagonists, their manufacture, and pharmaceutical compositions containing them.

  本发明涉及式I的2-氨基喹啉衍生物，其中R1、R2、R3、R4、R5、R6、A和n如规范和声明中定义，它们用作5-HT5A受体拮抗剂，它们的制造以及含有它们的药物组合物。
• Indoles, 1h-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof
  申请人：Xie Wenge

  公开号：US20050250808A1

  公开（公告）日：2005-11-10

  The present invention relates generally to the field of ligands for nicotinic acetylcholine receptors (nACh receptors), activation of nACh receptors, and the treatment of disease conditions associated with defective or malfunctioning nicotinic acetylcholine receptors, especially of the brain. Further, this invention relates to novel compounds (indazoles and benzothiazoles), which act as ligands for the α7 nACh receptor subtype, methods of preparing such compounds, compositions containing such compounds, and methods of use thereof.

  本发明一般涉及尼古丁型乙酰胆碱受体（nACh受体）的配体领域，nACh受体的激活，以及与缺陷或功能异常的尼古丁型乙酰胆碱受体相关的疾病状况的治疗，尤其是大脑的治疗。此外，本发明涉及新型化合物（吲唑和苯并噻唑），其作为α7 nACh受体亚型的配体，制备此类化合物的方法，含有此类化合物的组合物，以及使用这些方法。
• Compounds for the Treatment of Hepatitis C
  申请人：Yeung Kap-Sun

  公开号：US20080226592A1

  公开（公告）日：2008-09-18

  The invention encompasses compounds of Formula I, pharmaceutically acceptable salts thereof, compositions, and methods of using the compounds. The compounds have activity against hepatitis C virus (HCV) and are useful in treating those infected with HCV.

  该发明涵盖了式I的化合物，其药用盐，组合物以及使用这些化合物的方法。这些化合物对丙型肝炎病毒（HCV）具有活性，并可用于治疗感染HCV的患者。
• INHIBITORS OF TRYPTOPHAN 2,3-DIOXYGENASE
  申请人：Netherlands Translational Research Center B.V.

  公开号：EP3269714A1

  公开（公告）日：2018-01-17

  The invention relates to a compound of Formula I : or pharmaceutically acceptable enantiomers, or salts thereof. The present invention also relates to the use of compounds of Formula (I) as selective inhibitors of tryptophan 2,3-dioxygenase. The invention also relates to the use of the compounds of Formula (I) for the treatment or prevention of cancer and central nervous system disease or disorder, either as a single agent or in combination with other therapies.

  该发明涉及公式I的化合物，或其药用可接受的对映体，或其盐。本发明还涉及将公式(I)的化合物用作色氨酸2,3-二氧化酶的选择性抑制剂。该发明还涉及将公式(I)的化合物用于治疗或预防癌症和中枢神经系统疾病或紊乱，无论是作为单一药物还是与其他疗法结合使用。
• 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF
  申请人：Manning David D.

  公开号：US20090298809A1

  公开（公告）日：2009-12-03

  Novel 5-HT 3 receptor modulators are disclosed. These compounds are used in the treatment of various disorders, including chemotherapy-induced nausea and vomiting, post-operative nausea and vomiting, and irritable bowel syndrome. Methods of making these compounds are also described in the present invention.

  揭示了新型5-HT3受体调节剂。这些化合物用于治疗各种疾病，包括化疗诱发的恶心和呕吐、术后恶心和呕吐以及肠易激综合征。本发明还描述了制备这些化合物的方法。