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Hexahydro-1H-azepine-1-propanenitrile

Hexahydro-1H-azepine-1-propanenitrile structure

CAS No:
937-51-9
Formula:
C9H16N2
Chemical Name:
Hexahydro-1H-azepine-1-propanenitrile
Synonyms:
1H-Azepine-1-propanenitrile,hexahydro-;1H-Azepine-1-propionitrile,hexahydro-;Hexahydro-1H-azepine-1-propanenitrile;NSC 73498;NSC 73685

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Hexahydro-1H-azepine-1-propanenitrile Basic Attributes

Molecular Weight：

152.23700

Exact Mass：

152.24

EC Number：

213-330-7

NSC Number：

73498

DSSTox ID：

DTXSID10239546

HScode：

2933990090

Characteristics

PSA：

27.03000

XLogP3：

1.71398

Density：

0.945 g/cm³ @ Temp: 20 °C

Boiling Point：

121-123 °C @ Press: 14 Torr

Flash Point：

108.2ºC

Refractive Index：

1.466

Safety Information

Transport codes：

UN 3276

hazard class code：

20/21/22-36/38

safety instructions：

S26-S36/37/39

Precautionary statement(s)：

P264, P270, P301+P310, P321, P330, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:152.24
XLogP3:1.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:152.131348519
Monoisotopic Mass:152.131348519
Topological Polar Surface Area:27
Heavy Atom Count:11
Complexity:137
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Hexahydro-1H-azepine-1-propanenitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

Hexahydro-1H-azepine-1-propanenitrile

SDS

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