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N-(2-Cyanoethyl)-ε-caprolactam

N-(2-Cyanoethyl)-ε-caprolactam structure

CAS No:
7336-15-4
Formula:
C9H14N2O
Chemical Name:
N-(2-Cyanoethyl)-ε-caprolactam
Synonyms:
1H-Azepine-1-propanenitrile,hexahydro-2-oxo-;1H-Azepine-1-propionitrile,hexahydro-2-oxo-;Hexahydro-2-oxo-1H-azepine-1-propanenitrile;N-(β-Cyanethyl)-ε-caprolactam;N-(β-Cyanethyl)-ξ-caprolactam;N-(β-Cyanoethyl)-ε-caprolactam;N-(2-Cyanoethyl)-ε-caprolactam;N-(β-Cyanoethyl)caprolactam

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N-(2-Cyanoethyl)-ε-caprolactam Basic Attributes

Molecular Weight：

166.22000

Exact Mass：

166.22

DSSTox ID：

DTXSID60445630

Characteristics

PSA：

44.10000

XLogP3：

1.24058

Density：

1.044g/cm3

Melting Point：

32-34 °C

Boiling Point：

153-158 °C @ Press: 1.5-1.8 Torr

Flash Point：

169.552ºC

Refractive Index：

1.48

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 87 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:166.22
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:166.110613074
Monoisotopic Mass:166.110613074
Topological Polar Surface Area:44.1
Heavy Atom Count:12
Complexity:204
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-(2-Cyanoethyl)-ε-caprolactam

Basic Attributes
Characteristics
Safety Information
Computed Properties

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