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4-(4-benzylpiperazin-1-yl)benzonitrile

4-(4-benzylpiperazin-1-yl)benzonitrile structure

CAS No:
90905-00-3
Formula:
C18H19N3
Chemical Name:
4-(4-benzylpiperazin-1-yl)benzonitrile
Synonyms:
4-(4-benzylpiperazin-1-yl)benzonitrile;4-(4-Benzylpiperizin-1-yl)benzonitrile;Benzonitrile, 4-[4-(phenylmethyl)-1-piperazinyl]-

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4-(4-benzylpiperazin-1-yl)benzonitrile Basic Attributes

Molecular Weight：

277.36

Exact Mass：

277.157897619

DSSTox ID：

DTXSID40429034

Characteristics

Density：

1.17±0.1 g/cm3

Melting Point：

110-111 °C(Solv: cyclohexane (110-82-7))

Boiling Point：

450.7±45.0 °C(Predicted)

PKA：

7.39±0.10

Computed Properties

Molecular Weight:277.4
XLogP3:3.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:277.157897619
Monoisotopic Mass:277.157897619
Topological Polar Surface Area:30.3
Heavy Atom Count:21
Complexity:350
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(4-benzylpiperazin-1-yl)benzonitrile

Basic Attributes
Characteristics
Computed Properties

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