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4-(2-Aminoethyl)benzonitrile hydrochloride

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  • Name 4-(2-Aminoethyl)benzonitrile hydrochloride
  • EINECS205-525-8
  • CAS No. 167762-80-3
  • DensityN/A
  • PSA49.81000
  • LogP2.56178
  • SolubilityN/A
  • Melting Point211-216°C
  • FormulaC9H10N2.HCl
  • Boiling Point319.5 °C at 760 mmHg
  • Molecular Weight182.653
  • Flash Point147 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety36/37
  • Risk Codes20/21/22
  • Molecular Structure
    Molecular Structure of 167762-80-3 (4-CYANOPHENYLETHYLAMINE HCL)
  • Hazard SymbolsXn
  • SynonymsXn

4-(2-Aminoethyl)benzonitrile hydrochloride Specification

The 4-(2-Aminoethyl)benzonitrile hydrochloride with cas registry number of 167762-80-3,  has the systematic name of 4-(2-aminoethyl)benzonitrile hydrochloride. And its IUPAC name is the same one, which is 4-(2-aminoethyl)benzonitrile hydrochloride.

Physical properties about this chemical are: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 49.81 Å2; (7)Flash Point: 147 °C; (8)Enthalpy of Vaporization: 57.23 kJ/mol; (9)Boiling Point: 319.5 °C at 760 mmHg; (10)Vapour Pressure: 0.000247 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: NCCc1ccc(cc1)C#N.Cl;
(2)InChI: InChI=1/C9H10N2.ClH/c10-6-5-8-1-3-9(7-11)4-2-8;/h1-4H,5-6,10H2;1H;
(3)InChIKey: LTYHPCKZVFOVCH-UHFFFAOYAS;
(4)Std. InChI: InChI=1S/C9H10N2.ClH/c10-6-5-8-1-3-9(7-11)4-2-8;/h1-4H,5-6,10H2;1H;
(5)Std. InChIKey: LTYHPCKZVFOVCH-UHFFFAOYSA-N

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