chempirical

4-Amino-1,2-benzenedicarbonitrile

C8H5N3CAS 56765-79-8143.15 g/mol

Open in Covalent MOL file
NNH2N
NitrilePrimary amine

Properties

Molecular formula
C8H5N3
Molar mass
143.15 g/mol
Exact mass
143.0483 Da
Melting point
222 °C
logP
1.01Crippen estimate
Polar surface area
73.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
56765-79-8
SMILES
N#Cc1ccc(N)cc1C#N
InChIKey
RRCAJFYQXKPXOJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H5N3/c9-4-6-1-2-8(11)3-7(6)5-10/h1-3H,11H2

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

Names and synonyms

6 names
  • 1,2-Benzenedicarbonitrile, 4-amino-
  • Phthalonitrile, 4-amino-
  • 4-Aminophthalonitrile
  • 3,4-Dicyanoaniline
  • 4-Amino-1,2-dicyanobenzene
  • NSC 309814

Work with 4-Amino-1,2-benzenedicarbonitrile

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-2-chlorobenzonitrile20925-27-364 % similar 4-Amino-2-fluorobenzonitrile53312-80-464 % similar 5-Amino-2-fluorobenzonitrile53312-81-564 % similar 4-Cyano-3-(trifluoromethyl)aniline654-70-658 % similar 4,5-Diamino-1,2-benzenedicarbonitrile129365-93-152 % similar 4-Fluoro-1,2-benzenedicarbonitrile65610-14-250 % similar 1,2,4,5-Benzenetetracarbonitrile712-74-350 % similar 4-Aminobenzonitrile873-74-550 % similar

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

Same formula

1H-Pyrrolo[2,3-B]pyridine-6-carbonitrile189882-33-5 1H-Pyrrolo[2,3-B]pyridine-3-carbonitrile4414-89-5 1H-Indazole-3-carbonitrile50264-88-5 3-Ethynylimidazo[1,2-B]pyridazine943320-61-4

Elsewhere

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