chempirical

3,4-Diaminobenzonitrile

C7H7N3CAS 17626-40-3133.15 g/mol

Open in Covalent MOL file
NNH2NH2
NitrilePrimary amine

Properties

Molecular formula
C7H7N3
Molar mass
133.15 g/mol
Exact mass
133.0640 Da
Melting point
147.5 °C
logP
0.72Crippen estimate
Polar surface area
75.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
0

Identifiers

CAS number
17626-40-3
SMILES
N#Cc1ccc(N)c(N)c1
InChIKey
VWLLPPSBBHDXHK-UHFFFAOYSA-N
InChI
InChI=1S/C7H7N3/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,9-10H2

Weigh it out

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

Names and synonyms

7 names
  • Benzonitrile, 3,4-diamino-
  • 4-Cyano-1,2-diaminobenzene
  • 2-Amino-4-cyanoaniline
  • 4-Cyano-o-phenylenediamine
  • 1,2-Diamino-4-cyanobenzene
  • 4-Cyano-1,2-benzenediamine
  • 4-Cyano-1,2-phenylenediamine

Work with 3,4-Diaminobenzonitrile

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

3-Amino-4-chlorobenzonitrile53312-79-164 % similar 4-Amino-3-fluorobenzonitrile63069-50-164 % similar 4-Amino-3-(trifluoromethoxy)benzonitrile175278-23-653 % similar 4-Amino-3-nitrobenzonitrile6393-40-453 % similar 4,5-Diamino-1,2-benzenedicarbonitrile129365-93-152 % similar 1,4-Dicyanobenzene623-26-750 % similar 4-Aminobenzonitrile873-74-550 % similar 3-Aminobenzonitrile2237-30-148 % similar

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

Same formula

1H-Pyrrolo[2,3-B]pyridin-5-ylamine100960-07-4 1H-Pyrazolo[3,4-B]pyridine,3-methyl-(9ci)116834-96-9 1-Methylbenzotriazole13351-73-0 5-Methylbenzotriazole136-85-6 2,5-Diaminobenzonitrile14346-13-5 1H-Indazol-5-amine19335-11-6 1H-Indazol-7-amine21443-96-9 Benzyl azide622-79-7

Elsewhere

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