4,5-Diamino-1,2-benzenedicarbonitrile

C₈H₆N₄CAS 129365-93-1158.16 g/mol

Open in Covalent MOL file

Nitrile Primary amine

Properties

Molecular formula: C₈H₆N₄
Molar mass: 158.16 g/mol
Exact mass: 158.0592 Da
logP: 0.59Crippen estimate
Polar surface area: 99.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 0

Identifiers

CAS number

129365-93-1

SMILES

C1=C(C(=CC(=C1N)N)C#N)C#N

InChIKey

PCKAZQYWUDIFQM-UHFFFAOYSA-N

InChI

InChI=1S/C8H6N4/c9-3-5-1-7(11)8(12)2-6(5)4-10/h1-2H,11-12H2

Weigh it out

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

Names and synonyms

1 names

1,2-Benzenedicarbonitrile, 4,5-diamino-

Work with 4,5-Diamino-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

1,2,4,5-Benzenetetracarbonitrile712-74-361 % similar 2-Aminobenzonitrile1885-29-657 % similar 3,4-Diaminobenzonitrile17626-40-352 % similar 4-Amino-1,2-benzenedicarbonitrile56765-79-852 % similar 4-Amino-2,5-difluorobenzonitrile112279-61-552 % similar 2-Amino-4-methylbenzonitrile26830-96-650 % similar 2-Amino-4,5-dimethoxybenzonitrile26961-27-350 % similar 2-Amino-4-chlorobenzonitrile38487-86-450 % similar

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

Same formula

2,2'-Bipyrimidine34671-83-5

Elsewhere

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