chempirical

3,3′-Diaminobenzophenone

C13H12N2OCAS 611-79-0212.25 g/mol

Open in Covalent MOL file
NH2ONH2
KetonePrimary amine

Properties

Molecular formula
C13H12N2O
Molar mass
212.25 g/mol
Exact mass
212.0950 Da
Melting point
173.5 °C
Boiling point
285 °C (at 11 Torr)
logP
2.08Crippen estimate
Polar surface area
69.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
611-79-0
SMILES
Nc1cccc(C(=O)c2cccc(N)c2)c1
InChIKey
TUQQUUXMCKXGDI-UHFFFAOYSA-N
InChI
InChI=1S/C13H12N2O/c14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10/h1-8H,14-15H2

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

Names and synonyms

7 names
  • Methanone, bis(3-aminophenyl)-
  • Benzophenone, 3,3′-diamino-
  • Bis(3-aminophenyl)methanone
  • m,m′-Diaminobenzophenone
  • DABP
  • NSC 113058
  • 3,3′-Diaminodiphenylketone

Work with 3,3′-Diaminobenzophenone

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-Aminobenzophenone2835-78-188 % similar 3′-Aminoacetophenone99-03-662 % similar 3-Aminobenzoic acid99-05-862 % similar 1-(3-Aminophenyl)-1-propanone1197-05-358 % similar 1,3-Dibenzoylbenzene3770-82-958 % similar 4-Aminobenzophenone1137-41-357 % similar 3-Aminobenzoic acid hydrochloride15151-51-656 % similar Methyl 3-aminobenzoate4518-10-956 % similar

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

Same formula

1,3-Diphenylurea102-07-8 N-(3-Aminophenyl)benzamide16091-26-2 N-(4-Aminophenyl)benzamide17625-83-1 p-Phenylbenzoic acid hydrazide18622-23-6 4-Methoxyazobenzene2396-60-3 3,4-Diaminobenzophenone39070-63-8 2-Amino-N-phenylbenzamide4424-17-3 Harmine442-51-3

Elsewhere

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