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4-(2-Aminoethyl)benzonitrile hydrochloride (167762-80-3)

Identification
Name:4-(2-Aminoethyl)benzonitrile hydrochloride
Synonyms:4-(2-Amino-ethyl)-benzonitrile hydrochloride;P-Cyano Phenylethylamine Hydrochloride;4-(2-aminoethyl)-benzonitrilehydrochloride;
CAS:167762-80-3
Molecular Formula: C9H10N2.HCl
Molecular Weight: 182.65
InChI: InChI=1/C9H10N2.ClH/c10-6-5-8-1-3-9(7-11)4-2-8;/h1-4H,5-6,10H2;1H
Molecular Structure: (C9H10N2.HCl) 4-(2-Amino-ethyl)-benzonitrile hydrochloride;P-Cyano Phenylethylamine Hydrochloride;4-(2-aminoethyl)...
Properties
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

Safety Data
 

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