Product Name

  • Name

    (S)-3-(1-Aminoethyl)benzonitrile

  • EINECS
  • CAS No. 127852-22-6
  • Article Data2
  • CAS DataBase
  • Density 1.06 g/cm3
  • Solubility
  • Melting Point
  • Formula C9H10N2
  • Boiling Point 251.4 °C at 760 mmHg
  • Molecular Weight 146.19
  • Flash Point 105.8 °C
  • Transport Information
  • Appearance White solid
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 127852-22-6 ((S)-3-(1-Aminoethyl)benzonitrile)
  • Hazard Symbols
  • Synonyms Benzonitrile,3-(1-aminoethyl)-, (S)-;(S)-1-(3-Cyanophenyl)ethylamine;
  • PSA 49.81000
  • LogP 2.27828

(S)-1-(3-Cyanophenyl)ethylamine Specification

The (S)-1-(3-Cyanophenyl)ethylamine ,its cas register number is 127852-22-6.It also can be called as (S)-3-(1-Aminoethyl)benzonitrile and the Systematic name about this chemicals is 3-[(1S)-1-aminoethyl]benzonitrile .It belongs to the API intermediates.

Following are the chemical properties about (S)-1-(3-Cyanophenyl)ethylamine :(1)#H bond acceptors: 2 ; (2)#H bond donors: 2 ; (3)#Freely Rotating Bonds: 2 ; (4)Polar Surface Area: 49.81 Å ; (5)Index of Refraction: 1.557 ; (6)Molar Refractivity: 44.17 cm3 ; (7)Molar Volume: 137.1 cm3 ; (8)Surface Tension: 46.9 dyne/cm; (9)Enthalpy of Vaporization: 48.87 kJ/mol ; (10)Vapour Pressure: 0.0206 mmHg at 25°C .

This chemicals can be described computed from structure:
(1)Canonical SMILES: C1CNCCN(C1)C=O
(2)InChI: InChI=1S/C6H12N2O/c9-6-8-4-1-2-7-3-5-8/h6-7H,1-5H2
(3)InChIKey: RNNVQNMOFQXXTH-UHFFFAOYSA-N

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