3-Pyrrolidinecarbonitrile,1-(phenylmethyl)- (10603-52-8)

The 1-Benzyl-3-cyanopyrrolidine with its cas register number is 10603-52-8. It also can be called as 3-Pyrrolidinecarbonitrile,1-(phenylmethyl)- and the IUPAC Name about this chemical is 1-benzylpyrrolidine-3-carbonitrile. It belongs to the pharmacetical.

Physical properties about 1-Benzyl-3-cyanopyrrolidine are: (1)ACD/LogP: 1.24; (2)ACD/LogD (pH 5.5): -0.51; (3)ACD/LogD (pH 7.4): 1.01; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 3; (6)ACD/KOC (pH 5.5): 2.01; (7)ACD/KOC (pH 7.4): 65.41; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 27.03Ų; (11)Index of Refraction: 1.572; (12)Molar Refractivity: 56.29 cm³; (13)Molar Volume: 170.9 cm³; (14)Polarizability: 22.31x10^-24cm³; (15)Surface Tension: 47.2 dyne/cm; (16)Enthalpy of Vaporization: 55.44 kJ/mol; (17)Vapour Pressure: 0.0005 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN(CC1C#N)CC2=CC=CC=C2
(2)InChI: InChI=1S/C12H14N2/c13-8-12-6-7-14(10-12)9-11-4-2-1-3-5-11/h1-5,12H,6-7,9-10H2
(3)InChIKey: RYCQUUNQHVAFSM-UHFFFAOYSA-N