4-Aminobenzonitrile

C₇H₆N₂CAS 873-74-5118.14 g/mol

Open in Covalent MOL file

Nitrile Primary amine

Properties

Molecular formula: C₇H₆N₂
Molar mass: 118.14 g/mol
Exact mass: 118.0531 Da
Melting point: 83–85 °C
Boiling point: 167 °C (at 1.1 Torr)
logP: 1.14Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Identifiers

CAS number

873-74-5

SMILES

N#Cc1ccc(N)cc1

InChIKey

YBAZINRZQSAIAY-UHFFFAOYSA-N

InChI

InChI=1S/C7H6N2/c8-5-6-1-3-7(9)4-2-6/h1-4H,9H2

Weigh it out

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

Names and synonyms

13 names · show all

Benzonitrile, 4-amino-
Benzonitrile, p-amino-
4-Cyanoaniline
1-Amino-4-cyanobenzene
p-Aminobenzonitrile
p-Cyanoaniline
4-Cyanobenzenamine
4-Aminobenzenenitrile
4-Cyanophenylamine
NSC 7625
4-Cyanobenzeneamine
p-Cyanophenylamine
4-Aminophenylnitrile

Work with 4-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4′-Amino[1,1′-biphenyl]-4-carbonitrile4854-84-686 % similar 1,4-Dicyanobenzene623-26-767 % similar [1,1′-Biphenyl]-4,4′-dicarbonitrile1591-30-657 % similar Benzonitrile100-47-052 % similar 4-Methylbenzonitrile104-85-850 % similar 4-Cyanobenzylamine10406-25-450 % similar 4,4'-(1-Methylene) bis-benzonitrile10466-37-250 % similar P-Phenylenediamine106-50-350 % 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 3-Aminobenzonitrile2237-30-1

Elsewhere

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