chempirical

3-Amino-2-butenenitrile

C4H6N2CAS 1118-61-282.11 g/mol

Open in Covalent MOL file
H2NN
AlkeneNitrilePrimary amine

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

Identifiers

CAS number
1118-61-2
SMILES
CC(N)=CC#N
InChIKey
DELJOESCKJGFML-UHFFFAOYSA-N
InChI
InChI=1S/C4H6N2/c1-4(6)2-3-5/h2H,6H2,1H3

Weigh 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

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Acrylonitrile107-13-136 % similar Polyacrylonitrile25014-41-936 % 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. All similar compounds

Same formula

3-Methylpyrazole1453-58-3 1-Methylimidazole616-47-7 2-Methylimidazole693-98-1 4-Methylpyrazole7554-65-6 1H-Pyrrol-1-amine765-39-9 4-Methylimidazole822-36-6 1-Methyl-1H-pyrazole930-36-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook