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Hexahydro-1H-azepine-1-acetonitrile

Hexahydro-1H-azepine-1-acetonitrile structure

CAS No:
54714-50-0
Formula:
C8H14N2
Chemical Name:
Hexahydro-1H-azepine-1-acetonitrile
Synonyms:
1H-Azepine-1-acetonitrile,hexahydro-;Hexahydro-1H-azepine-1-acetonitrile;Hexamethyleneiminoacetonitrile;NSC 74468;(1-Azepanyl)acetonitrile;2-(Azepan-1-yl)acetonitrile

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Hexahydro-1H-azepine-1-acetonitrile Basic Attributes

Molecular Weight：

138.21000

Exact Mass：

138.21

EC Number：

259-302-8

UNII：

BF3UXM6BK7

NSC Number：

74468

DSSTox ID：

DTXSID30203183

HScode：

2933990090

Characteristics

PSA：

27.03000

XLogP3：

1.32388

Appearance：

Clear colorless to brown liquid

Density：

0.96g/cm3

Boiling Point：

102-103 °C @ Press: 14 Torr

Flash Point：

84.2ºC

Refractive Index：

1.4725-1.4765

Safety Information

Transport codes：

UN 3276

hazard class code：

R20/21/22

safety instructions：

S24/25

Marks：

Computed Properties

Molecular Weight:138.21
XLogP3:1.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:138.115698455
Monoisotopic Mass:138.115698455
Topological Polar Surface Area:27
Heavy Atom Count:10
Complexity:125
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Hexahydro-1H-azepine-1-acetonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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