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Benzonitrile,3-[(1S)-1-aminoethyl]- (127852-22-6)

Identification
Name:Benzonitrile,3-[(1S)-1-aminoethyl]-
Synonyms:Benzonitrile,3-(1-aminoethyl)-, (S)-;(S)-1-(3-Cyanophenyl)ethylamine;
CAS:127852-22-6
Molecular Formula: C9H10N2
Molecular Weight: 146.19
InChI: InChI=1/C9H10N2/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5,7H,11H2,1H3/t7-/m0/s1
Molecular Structure: (C9H10N2) Benzonitrile,3-(1-aminoethyl)-, (S)-;(S)-1-(3-Cyanophenyl)ethylamine;
Properties
Density:1.06 g/cm3
Refractive index:1.557
Appearance:White solid
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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