Product Name

  • Name

    azepan-1-yl(2-methylcyclohexyl)methanone

  • EINECS
  • CAS No. 52736-62-6
  • Density 0.975g/cm3
  • Solubility
  • Melting Point
  • Formula C14H25NO
  • Boiling Point 355°Cat760mmHg
  • Molecular Weight 223.3544
  • Flash Point 146°C
  • Transport Information
  • Appearance
  • Safety A severe skin and eye irritant.
  • Risk Codes
  • Molecular Structure Molecular Structure of 52736-62-6 (azepan-1-yl(2-methylcyclohexyl)methanone)
  • Hazard Symbols
  • Synonyms
  • PSA
  • LogP

AI 3-35770 Chemical Properties

Product Name: AI 3-35770 (CAS NO.52736-62-6)


Molecular Formula: C14H25NO
Molecular Weight: 223.3544g/mol
Mol File: 52736-62-6.mol
Boiling point: 355 °C at 760 mmHg
Flash Point: 146 °C
Density: 0.975 g/cm3
Surface Tension: 35.5 dyne/cm
Enthalpy of Vaporization: 60.01 kJ/mol
Vapour Pressure: 3.22E-05 mmHg at 25°C
XLogP3-AA: 3.4
H-Bond Donor: 0
H-Bond Acceptor: 1
Structure Descriptors of AI 3-35770 (CAS NO.52736-62-6):
  IUPAC Name: azepan-1-yl-(2-methylcyclohexyl)methanone
  Canonical SMILES: CC1CCCCC1C(=O)N2CCCCCC2
  InChI: InChI=1S/C14H25NO/c1-12-8-4-5-9-13(12)14(16)15-10-6-2-3-7-11-15/h12-13H,2-11H2,1H3 
  InChIKey: CJLSOGGQZIXSMO-UHFFFAOYSA-N

AI 3-35770 Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H SEV

    NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD-A144-424 .

AI 3-35770 Safety Profile

A severe skin and eye irritant.

AI 3-35770 Specification

 AI 3-35770 , its CAS NO. is 52736-62-6, the synonyms are ENT 35770 ; Hexahydro-1-((2-methylcyclohexyl)carbonyl)-1H-azepine ; NSC 195038 ; 1H-Azepine, hexahydro-1-((2-methylcyclohexyl)carbonyl)- .

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