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3-(Propylamino)propanenitrile

3-(Propylamino)propanenitrile structure

CAS No:
7249-87-8
Formula:
C6H12N2
Chemical Name:
3-(Propylamino)propanenitrile
Synonyms:
Propanenitrile,3-(propylamino)-;Propionitrile,3-(propylamino)-;3-(Propylamino)propanenitrile;N-(β-Cyanoethyl)propylamine;3-(Propylamino)propionitrile;N-Cyanoethyl-N-propylamine;Propyl(2-cyanoethyl)amine;NSC 41194;N-(2-Cyanoethyl)-N-propylamine

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3-(Propylamino)propanenitrile Basic Attributes

Molecular Weight：

112.176

Exact Mass：

112.17

UNII：

AL441KBO6T

NSC Number：

41194

DSSTox ID：

DTXSID7064605

HScode：

2926909090

Characteristics

PSA：

35.8

XLogP3：

1.29058

Density：

0.8889 g/cm³ @ Temp: 20 °C

Boiling Point：

119-121 °C @ Press: 30 Torr

Flash Point：

77.4ºC

Refractive Index：

1.427

Safety Information

Transport codes：

UN 2734

hazard class code：

R34

safety instructions：

S26

Marks：

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

3-(Propylamino)propanenitrile Use and Manufacturing

Manufacturing Info：

Propanenitrile, 3-(propylamino)-: INACTIVE

Computed Properties

Molecular Weight:112.17
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:112.100048391
Monoisotopic Mass:112.100048391
Topological Polar Surface Area:35.8
Heavy Atom Count:8
Complexity:79.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(Propylamino)propanenitrile

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

3-(Propylamino)propanenitrile

SDS

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