3-Amino-2-butenenitrile
Properties
- Molecular formula
- C4H6N2
- Molar mass
- 82.11 g/mol
- Exact mass
- 82.0531 Da
- logP
- 0.37Crippen estimate
- Polar surface area
- 49.8 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H300 Fatal if swallowed77.4% of notifiers
- H302 Harmful if swallowed21.4% of notifiers
- H311 Toxic in contact with skin51.2% of notifiers
- H312 Harmful in contact with skin28.6% of notifiers
- H314 Causes severe skin burns and eye damage28.6% of notifiers
- H317 May cause an allergic skin reaction98.8% of notifiers
- H319 Causes serious eye irritation19% of notifiers
Aggregated from 84 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P262, P264, P264+P265, P270, P272, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P333+P317, P337+P317, P361+P364, P362+P364, P363, P405, P501
Identifiers
CAS number
1118-61-2SMILES
CC(N)=CC#NInChIKey
DELJOESCKJGFML-UHFFFAOYSA-NInChI
InChI=1S/C4H6N2/c1-4(6)2-3-5/h2H,6H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 2-Butenenitrile, 3-amino-
- Crotononitrile, 3-amino-
- β-Aminocrotonitrile
- 3-Aminocrotononitrile
- β-Aminocrotononitrile
- 3-Amino-3-methylacrylonitrile
- 3-Aminocrotonitrile
- NSC 102759
Work with 3-Amino-2-butenenitrile
Similar compounds
Acrylonitrile107-13-136 % similar
Polyacrylonitrile25014-41-936 % similar
cis-2-tert-Butyl-2-butenedinitrile169309-80-234 % similar
Geranyl nitrile5146-66-734 % similar
4-Amino-3-penten-2-one1118-66-733 % similar
3-(Cyanomethylene)cyclobutanecarbonitrile1153949-98-430 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.