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(3R)-1-benzylpyrrolidine-3-carbonitrile

(3R)-1-benzylpyrrolidine-3-carbonitrile structure

CAS No:
157528-56-8
Formula:
C12H14N2
Chemical Name:
(3R)-1-benzylpyrrolidine-3-carbonitrile
Synonyms:
(R)-1-benzyl-pyrrolidine-3-carbonitrile; (R)-1-Benzyl-3-pyrrolidinecarbonitrile; (R)-1-Benzyl-3-cyanopyrrolidine; (3R)-3-cyano-1-benzylpyrrolidine;

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(3R)-1-benzylpyrrolidine-3-carbonitrile Basic Attributes

Molecular Weight：

186.25300

Exact Mass：

186.115698455 g/mol

DSSTox ID：

DTXSID80363948

Characteristics

PSA：

27.03000

XLogP3：

1.96998

Density：

1.08g/cm3

Boiling Point：

313.3ºC

Flash Point：

132.8ºC

Refractive Index：

1.572

Vapor Pressure：

0.0005mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:186.25
XLogP3:1.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:186.115698455
Monoisotopic Mass:186.115698455
Topological Polar Surface Area:27
Heavy Atom Count:14
Complexity:222
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (3R)-1-benzylpyrrolidine-3-carbonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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