1-[3-氨基-4-(甲基氨基)苯基]-1-乙酮 | 18076-19-2

• 物质功能分类: 生物 - 细胞培养 - 添加剂
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-[3-氨基-4-(甲基氨基)苯基]-1-乙酮
• 中文别名: 1-[3-氨基-4-(甲氨基)苯基]乙酮
• 英文名称: 3-Amino-4-methylamino-acetophenon
• 英文别名: 1-(3-amino-4-methylamino-phenyl)-ethanone；1-(3-Amino-4-methylamino-phenyl)-aethanon；1-(3-Amino-4-(methylamino)phenyl)ethanone；1-[3-amino-4-(methylamino)phenyl]ethanone
• CAS: 18076-19-2
• 化学式: C₉H₁₂N₂O
• mdl: MFCD03407301
• 分子量: 164.207
• InChiKey: BDFJKWSILZEFMQ-UHFFFAOYSA-N

物化性质

• 熔点：
  119-123°C

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xn
• 危险类别码：
  R36/37/38,R
• 海关编码：
  2922399090
• 安全说明：
  S26,S36/37/39
• 危险性防范说明：
  P261,P280
• 危险性描述：
  H317

SDS

Name:	1-[3-Amino-4-(methylamino)phenyl]-1-ethanone 97% Material Safety Data Sheet
Synonym:
CAS:	18076-19-2

Section 1 - Chemical Product MSDS Name:1-[3-Amino-4-(methylamino)phenyl]-1-ethanone 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
18076-19-2	1-[3-Amino-4-(methylamino)phenyl]-1-et	97%	unlisted

Hazard Symbols: XN
Risk Phrases: 20/21/22

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.Air sensitive.Moisture sensitive.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. May cause respiratory tract irritation.
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. 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.
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:
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.
Store under nitrogen.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 18076-19-2: 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: brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 119 - 123 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: C9H12N2O
Molecular Weight: 164.21

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, moisture, exposure to air, contact with water.
Incompatibilities with Other Materials:
Oxidizing agents, acids.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, ammonia.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 18076-19-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-[3-Amino-4-(methylamino)phenyl]-1-ethanone - 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: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
Safety Phrases:
S 36/37 Wear suitable protective clothing and
gloves.
WGK (Water Danger/Protection)
CAS# 18076-19-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 18076-19-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 18076-19-2 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：

  1-[3-氨基-4-(甲基氨基)苯基]-1-乙酮 、 利鲁唑 、 N,N'-硫羰基二咪唑 以 1,2-二氯乙烷 为溶剂， 生成 1-[1-methyl-2-(6-trifluoromethoxybenzothiazol-2-ylamino)-1H-benzoimidazol-5-yl]ethanone
  参考文献：
  名称：

  Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof

  摘要：

  本发明提供了替代融合咪唑衍生物，它们的制备方法，包括替代融合咪唑衍生物的药物组合物以及在治疗炎症方面使用的方法。这些替代融合咪唑衍生物可以控制血红素氧化酶的活性或数量或活性和数量。

  公开号：

  US08759535B2
• 作为产物：
  描述：

  1-[4-(甲基氨基)-3-硝基苯基]乙酮 在 钯 crude product 作用下， 生成 1-[3-氨基-4-(甲基氨基)苯基]-1-乙酮
  参考文献：
  名称：

  Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof

  摘要：

  提供了替代融合咪唑衍生物、其制备方法、包含替代融合咪唑衍生物的药物组合物以及在治疗炎症方面的使用方法。替代融合咪唑衍生物可以控制血红素氧合酶的活性或数量或两者同时控制。

  公开号：

  US20140200212A1

文献信息

• Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof
  申请人：Mjalli Adnan M. M.

  公开号：US08759535B2

  公开（公告）日：2014-06-24

  Substituted fused imidazole derivatives, methods of their preparation, pharmaceutical compositions comprising a substituted fused imidazole derivative, and methods of use in treating inflammation are provided. The substituted fused imidazole derivatives may control the activity or the amount or both the activity and the amount of heme-oxygenase.

  本发明提供了替代融合咪唑衍生物，它们的制备方法，包括替代融合咪唑衍生物的药物组合物以及在治疗炎症方面使用的方法。这些替代融合咪唑衍生物可以控制血红素氧化酶的活性或数量或活性和数量。
• AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS
  申请人：Janssen Pharmaceutica, NV

  公开号：US20130217669A1

  公开（公告）日：2013-08-22

  Disclosed are compounds, compositions and methods for treating various diseases, syndromes, conditions and disorders, including pain. Such compounds are represented by Formula (I) as follows: wherein Y, Z, R 1 , and s are defined herein.

  本发明涉及化合物、组合物和方法，用于治疗各种疾病、综合症、病况和障碍，包括疼痛。这些化合物由以下式子（I）所表示：其中，Y、Z、R1和s如下所定义。
• SUBSTITUTED FUSED IMIDAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF
  申请人：vTv Therapeutics LLC

  公开号：EP2536285B1

  公开（公告）日：2018-04-25
• BICYCLIC INHIBITORS OF PAD4
  申请人：Padlock Therapeutics, Inc.

  公开号：US20170166565A1

  公开（公告）日：2017-06-15

  The present invention provides compounds useful as inhibitors of PAD4, compositions thereof, and methods of treating PAD4-related disorders.
• US8367653B2
  申请人：——

  公开号：US8367653B2

  公开（公告）日：2013-02-05