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132224-93-2

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Basic Information
CAS No.: 132224-93-2
Name: 2-(4-CYANO-PHENYL)ETHYLAMINE
Article Data: 13
Molecular Structure:
Molecular Structure of 132224-93-2 (2-(4-CYANO-PHENYL)ETHYLAMINE)
Formula: C9H10N2
Molecular Weight: 146.192
Synonyms: 2-(4-CYANO-PHENYL)ETHYLAMINE;P-Cyano Phenylethylamine;
Density: 1.07g/cm3
Boiling Point: 287 °C at 760 mmHg
Flash Point: 127.4 °C
PSA: 49.81000
LogP: 1.75978
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Specification

The 4-Cyanophenylethylamine with cas registry number of 132224-93-2, has the systematic name of 4-(2-aminoethyl)benzonitrile.And it is also called benzonitrile, 4-(2-aminoethyl)-; 4-Cyanophenyl Ethylamine.

Physical properties about this chemical are: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 49.81 Å2; (11)Index of Refraction: 1.56; (12)Molar Refractivity: 44.19 cm3; (13)Molar Volume: 136.5 cm3; (14)Polarizability: 17.52×10-24cm3; (15)Surface Tension: 48.9 dyne/cm; (16)Enthalpy of Vaporization: 52.62 kJ/mol; (17)Vapour Pressure: 0.00255 mmHg at 25°C.

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