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Basic Information
CAS No.: 10603-52-8
Name: 1-BENZYL-PYRROLIDINE-3-CARBONITRILE
Molecular Structure:
Molecular Structure of 10603-52-8 (1-BENZYL-PYRROLIDINE-3-CARBONITRILE)
Formula: C12H14N2
Molecular Weight: 186.257
Synonyms: 3-Pyrrolidinecarbonitrile,1-benzyl- (7CI,8CI);(1-Benzyl-3-pyrrolidine)carbonitrile;
Density: 1.08 g/cm3
Boiling Point: 313.3 °C at 760 mmHg
Flash Point: 132.8 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:;
">  Xi:;
Safety: 26
PSA: 27.03000
LogP: 1.96998
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  • 1-Benzyl-3-cyanopyrrolidine

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    1-BENZYL-PYRROLIDINE-3-CARBONITRILE

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  • 1-Benzyl-3-cyanopyrrolidine

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    1-Benzyl-3-cyanopyrrolidine

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    Formula: C12H14N2 Mol Weight: 186.25

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Specification

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: 27.03Å2; (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