chempirical

1,4-Diamino-9,10-dihydro-9,10-dioxo-2,3-anthracenedicarbonitrile

C16H8N4O2CAS 81-41-4288.27 g/mol

Open in Covalent MOL file
NH2NNH2NOO
KetoneNitrilePrimary amine

Properties

Molecular formula
C16H8N4O2
Molar mass
288.27 g/mol
Exact mass
288.0647 Da
logP
1.37Crippen estimate
Polar surface area
133.8 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
0

Identifiers

CAS number
81-41-4
SMILES
N#Cc1c(N)c2c(c(N)c1C#N)C(=O)c1ccccc1C2=O
InChIKey
QUZJFTXRXJQLBH-UHFFFAOYSA-N
InChI
InChI=1S/C16H8N4O2/c17-5-9-10(6-18)14(20)12-11(13(9)19)15(21)7-3-1-2-4-8(7)16(12)22/h1-4H,19-20H2

Weigh it out

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

Names and synonyms

7 names
  • 2,3-Anthracenedicarbonitrile, 1,4-diamino-9,10-dihydro-9,10-dioxo-
  • 2,3-Anthraquinonedicarbonitrile, 1,4-diamino-
  • 1,4-Diamino-2,3-dicyanoanthraquinone
  • 1,4-Diaminoanthraquinone-2,3-dicarbonitrile
  • 1,4-Diamino-2,3-anthraquinonedicarbonitrile
  • 1,4-Diamino-9,10-dioxo-9,10-dihydroanthracene-2,3-dicarbonitrile
  • 1,4-Diamino-9,10-dioxoanthracene-2,3-dicarbonitrile

Work with 1,4-Diamino-9,10-dihydro-9,10-dioxo-2,3-anthracenedicarbonitrile

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

Disperse violet 2881-42-559 % similar Disperse violet 2612217-95-753 % similar Disperse violet 266408-72-653 % similar 1-Amino-2,4-dibromo-9,10-anthracenedione81-49-253 % similar 1-Amino-4-(ethylamino)-9,10-dihydro-9,10-dioxo-2-anthracenecarbonitrile62570-50-752 % similar Disperse violet 1128-95-052 % similar 1,2-Diaminoanthraquinone1758-68-551 % similar Disperse orange 1182-28-049 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook