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3-(Butylphenylamino)propanenitrile

3-(Butylphenylamino)propanenitrile structure

3-(Butylphenylamino)propanenitrile 

structure
  • CAS No:

    61852-40-2

  • Formula:

    C13H18N2

  • Chemical Name:

    3-(Butylphenylamino)propanenitrile

  • Synonyms:

    Propanenitrile,3-(butylphenylamino)-;Propionitrile,3-N-butylanilino-;3-(Butylphenylamino)propanenitrile;N-Butyl-N-(β-cyanoethyl)aniline;N-Butyl-N-(2-cyanoethyl)aniline

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

3-(Butylphenylamino)propanenitrile Basic Attributes

202.3

202.30

263-275-8

DTXSID8069513

2926909090

Characteristics

27

3.35

1.0±0.1 g/cm3

148 °C / 0.7mmHg

165.8±23.2 °C

1.544

Safety Information

3077

R37/38:Irritating to respiratory system and skin . R41:Risk of serious damage to eyes. R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .

S26-S36

Xi

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P501

H302

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

3-(Butylphenylamino)propanenitrile Use and Manufacturing

Uses

Used as an intermediate in organic synthesis

Propanenitrile, 3-(butylphenylamino)-: ACTIVE

Computed Properties

Molecular Weight:202.30
XLogP3:3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:202.146998583
Monoisotopic Mass:202.146998583
Topological Polar Surface Area:27
Heavy Atom Count:15
Complexity:198
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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