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35840-91-6

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Basic Information
CAS No.: 35840-91-6
Name: 2-BENZYLPYRROLIDINE
Article Data: 20
Molecular Structure:
Molecular Structure of 35840-91-6 (2-BENZYLPYRROLIDINE)
Formula: C11H15N
Molecular Weight: 161.247
Synonyms: 2-Benzylpyrrolidine;2-Phenylmethyl-pyrrolidine;Pyrrolidine,2-benzyl- (6CI);(S)-2-Benzylpyrrolidine;
Density: 0.988 g/cm3
Boiling Point: 247.3 °C at 760 mmHg
Flash Point: 103.4 °C
Hazard Symbols: IrritantXi
Risk Codes: 22
PSA: 12.03000
LogP: 2.30990
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Specification

The Pyrrolidine,2-(phenylmethyl)-, with the CAS registry number 35840-91-6, is also known as 2-Phenylmethyl-pyrrolidine. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C11H15N and molecular weight is 161.24. What's more, its IUPAC name is 2-benzylpyrrolidine. 

Physical properties of Pyrrolidine,2-(phenylmethyl)- are: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 3.24 Å2; (7)Index of Refraction: 1.537; (8)Molar Refractivity: 50.96 cm3; (9)Molar Volume: 163 cm3; (10)Surface Tension: 37.7 dyne/cm; (11)Density: 0.988 g/cm3; (12)Flash Point: 103.4 °C; (13)Enthalpy of Vaporization: 48.45 kJ/mol; (14)Boiling Point: 247.3 °C at 760 mmHg; (15)Vapour Pressure: 0.0258 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CC(NC1)CC2=CC=CC=C2
(2)InChI: InChI=1S/C11H15N/c1-2-5-10(6-3-1)9-11-7-4-8-12-11/h1-3,5-6,11-12H,4,7-9H2
(3)InChIKey: NKHMSOXIXROFRU-UHFFFAOYSA-N