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1-BENZYL-4-METHYL-PYRROLIDINE-3-CARBONITRILE

1-BENZYL-4-METHYL-PYRROLIDINE-3-CARBONITRILE structure

CAS No:
115687-24-6
Formula:
C13H16N2
Chemical Name:
1-BENZYL-4-METHYL-PYRROLIDINE-3-CARBONITRILE
Synonyms:
1-benzyl-4-methyl-pyrrolidine-3-carbonitrile;1-benzyl-4-methylpyrrolidine-3-carbonitrile;(3S,4S)-1-benzyl-4-methylpyrrolidine-3-carbonitrile;3-Pyrrolidinecarbonitrile,4-methyl-1-(phenylmethyl)-;229322-74-1;ACMC-20mlgb;SCHEMBL500736;CTK4A9446;DTXSID40400328;FT-0690972

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1-BENZYL-4-METHYL-PYRROLIDINE-3-CARBONITRILE Basic Attributes

Molecular Weight：

200.28

Exact Mass：

200.13100

DSSTox ID：

DTXSID40400328

Characteristics

PSA：

XLogP3：

2.21598

Density：

1.06±0.1 g/cm3(Predicted)

Boiling Point：

320.1±35.0 °C(Predicted)

Flash Point：

133.3ºC

Refractive Index：

1.561

Vapor Pressure：

0.000324mmHg at 25°C

Computed Properties

Molecular Weight:200.28
XLogP3:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:200.131348519
Monoisotopic Mass:200.131348519
Topological Polar Surface Area:27
Heavy Atom Count:15
Complexity:247
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-BENZYL-4-METHYL-PYRROLIDINE-3-CARBONITRILE

Basic Attributes
Characteristics
Computed Properties

1-BENZYL-4-METHYL-PYRROLIDINE-3-CARBONITRILE

SDS

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