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4-(hexahydro-1H-azepin-1-yl)aniline is a chemical compound characterized by the molecular formula C12H19N. It features an aromatic amine structure with a hexahydro-1H-azepine ring system. This crystalline solid, which has a faint odor, is soluble in organic solvents such as ethanol and dichloromethane. Recognized for its potential biological activity, 4-(hexahydro-1H-azepin-1-yl)aniline is a subject of ongoing research for its application in drug development. However, due to its potential toxicity and harmful effects on human health, it is crucial to handle this chemical with care.

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  • 57356-18-0 Structure
  • Basic information

    1. Product Name: 4-(hexahydro-1H-azepin-1-yl)aniline
    2. Synonyms: 4-(hexahydro-1H-azepin-1-yl)aniline;4-[(Hexahydro-1H-azepin)-1-yl]benzenamine;4-(Azepan-1-yl)aniline 95%;(4-azepan-1-ylphenyl)amine(SALTDATA: 2HCl);1-(4-Aminophenyl)azepane;1-(4-Aminophenyl)azepane, 1-(4-Aminophenyl)hexahydro-1H-azepine, 1-(4-Aminophenyl)homopiperidine;4-(Azepan-1-yl)aniline95%
    3. CAS NO:57356-18-0
    4. Molecular Formula: C12H18N2
    5. Molecular Weight: 190.28472
    6. EINECS: 260-692-7
    7. Product Categories: N/A
    8. Mol File: 57356-18-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 359.6°Cat760mmHg
    3. Flash Point: 149.5°C
    4. Appearance: /
    5. Density: 1.047g/cm3
    6. Vapor Pressure: 2.35E-05mmHg at 25°C
    7. Refractive Index: 1.573
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 4-(hexahydro-1H-azepin-1-yl)aniline(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4-(hexahydro-1H-azepin-1-yl)aniline(57356-18-0)
    12. EPA Substance Registry System: 4-(hexahydro-1H-azepin-1-yl)aniline(57356-18-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 57356-18-0(Hazardous Substances Data)

57356-18-0 Usage

Uses

Used in Pharmaceutical Synthesis:
4-(hexahydro-1H-azepin-1-yl)aniline is utilized as a key intermediate in the synthesis of various pharmaceuticals and organic compounds. Its unique structure and properties make it a valuable building block for creating new drugs with specific therapeutic effects.
Used in Drug Development:
Due to its potential biological activity, 4-(hexahydro-1H-azepin-1-yl)aniline is under investigation for its use in drug development. Researchers are exploring its potential as a therapeutic agent for various medical conditions, leveraging its chemical properties to design and develop novel pharmaceuticals.
Used in Chemical Research:
4-(hexahydro-1H-azepin-1-yl)aniline also serves as a subject of interest in chemical research, where its properties and reactivity are studied to understand its behavior in different chemical reactions. This knowledge can contribute to the advancement of organic chemistry and the discovery of new synthetic pathways.
Used in Organic Chemistry:
In the field of organic chemistry, 4-(hexahydro-1H-azepin-1-yl)aniline is employed as a reagent or catalyst in various chemical processes. Its unique structure allows it to participate in specific reactions, facilitating the synthesis of complex organic molecules with potential applications in various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 57356-18-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,7,3,5 and 6 respectively; the second part has 2 digits, 1 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 57356-18:
(7*5)+(6*7)+(5*3)+(4*5)+(3*6)+(2*1)+(1*8)=140
140 % 10 = 0
So 57356-18-0 is a valid CAS Registry Number.
InChI:InChI=1/C12H18N2/c13-11-5-7-12(8-6-11)14-9-3-1-2-4-10-14/h5-8H,1-4,9-10,13H2

57356-18-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-(azepan-1-yl)aniline

1.2 Other means of identification

Product number -
Other names azepanylaniline

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:57356-18-0 SDS

57356-18-0Relevant articles and documents

KV11.1-3.1 INHIBITING METHODS AND COMPOSITIONS

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Page/Page column 45, (2020/12/30)

Compounds of formula (I), formula (II), or formula (III) and their use for treating a neurological or psychiatric disorder, or treating symptoms associated with a neurological or psychiatric disorder, mediated by Kv11.1-3.1 containing potassium channels, including schizophrenia, are disclosed.

BENZISOTHIAZOLE-1, 1-DIOXIDE ACTING AS ANTAGONISTS TO THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF

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Page/Page column 23, (2008/06/13)

Compounds having formula (I) or a pharmaceutically acceptable salt, prodrug, or salt of a prodrug thereof, wherein L, A, G, R1, R2 and R3 are as defined herein. These compounds are particularly useful in the treatment of pain, inflammatory hyperalgesia, and urinary dysfunctions, such as bladder overactivity and urinary incontinence.

Synthesis and biological activity of novel 1,4-diazepane derivatives as factor Xa inhibitor with potent anticoagulant and antithrombotic activity

Koshio, Hiroyuki,Hirayama, Fukushi,Ishihara, Tsukasa,Taniuchi, Yuta,Sato, Kazuo,Sakai-Moritani, Yumiko,Kaku, Seiji,Kawasaki, Tomihisa,Matsumoto, Yuzo,Sakamoto, Shuichi,Tsukamoto, Shin-Ichi

, p. 2179 - 2191 (2007/10/03)

Factor Xa (fXa) is a serine protease involved in the coagulation cascade, which has received great interest as a potential target for the development of new antithrombotic drugs. Herein we report a novel series of fXa inhibitors in which the 1,4-diazepane moiety was designed to interact with the S4 aryl-binding domain of the fXa active site. Compound 13 (YM-96765) showed potent fXa inhibitory activity (IC50=6.8nM) and effective antithrombotic activity without prolonging bleeding time.

Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals

-

, (2008/06/13)

The present invention relates to aminoalkyl-substituted aromatic bicyclic compounds of formula I, which are valuable pharmaceutically active compounds that are suitable, for example, for the treatment of obesity, type II diabetes, arteriosclerosis, high blood pressure, paresthesia, depression, anxiety, anxiety neuroses, schizophrenia, disorders associated with the circadian rhythm, and drug abuse, as well as normalizing lipid metabolism.

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