chempirical

3-Aminobenzonitrile

C7H6N2CAS 2237-30-1118.14 g/mol

Open in Covalent MOL file
NNH2
NitrilePrimary amine

Properties

Molecular formula
C7H6N2
Molar mass
118.14 g/mol
Exact mass
118.0531 Da
Melting point
54.3 °C
Boiling point
289 °C
logP
1.14Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
2237-30-1
SMILES
N#Cc1cccc(N)c1
InChIKey
NJXPYZHXZZCTNI-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2/c8-5-6-2-1-3-7(9)4-6/h1-4H,9H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • Benzonitrile, 3-amino-
  • Benzonitrile, m-amino-
  • m-Aminobenzonitrile
  • 3-Cyanoaniline
  • m-Cyanoaniline
  • 3-Cyanophenylamine
  • NSC 7626
  • 3ABN

Work with 3-Aminobenzonitrile

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Isophthalonitrile626-17-565 % similar 3-Ethynylaniline54060-30-957 % similar 4-Aminobenzonitrile873-74-554 % similar 3-Fluorobenzonitrile403-54-354 % similar 3-Chlorobenzonitrile766-84-754 % similar 3-Cyanophenol873-62-154 % similar M-Phenylenediamine108-45-252 % similar 3-Methylbenzonitrile620-22-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-(Cyanomethylene)cyclobutanecarbonitrile1153949-98-4 Pyridin-4-yl-acetonitrile13121-99-8 6-Methyl-2-pyridinecarbonitrile1620-75-3 4-Methyl-2-pyridinecarbonitrile1620-76-4 5-Methyl-2-pyridinecarbonitrile1620-77-5 2-Aminobenzonitrile1885-29-6 3-Methyl-2-pyridinecarbonitrile20970-75-6 1H-Pyrrolo[2,3-C]pyridine271-29-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook