chempirical

3,4-Diaminobenzophenone

C13H12N2OCAS 39070-63-8212.25 g/mol

Open in Covalent MOL file
H2NOH2N
KetonePrimary amine

Properties

Molecular formula
C13H12N2O
Molar mass
212.25 g/mol
Exact mass
212.0950 Da
logP
2.08Crippen estimate
Polar surface area
69.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
39070-63-8
SMILES
Nc1ccc(C(=O)c2ccccc2)cc1N
InChIKey
RXCOGDYOZQGGMK-UHFFFAOYSA-N
InChI
InChI=1S/C13H12N2O/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8H,14-15H2

Weigh it out

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

Names and synonyms

10 names
  • Methanone, (3,4-diaminophenyl)phenyl-
  • (3,4-Diaminophenyl)phenylmethanone
  • 2-Amino-4-benzoylaniline
  • 4-Benzoyl-o-phenylenediamine
  • p-Benzoyl-o-phenylenediamine
  • 4-Benzoyl-1,2-benzenediamine
  • 3,4-Benzophenonediamine
  • 4-Benzoyl-1,2-phenylenediamine
  • 1,2-Diamino-4-(phenylcarbonyl)benzene
  • 4-Benzoyl-1,2-diaminobenzene

Work with 3,4-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

1,4-Dibenzoylbenzene3016-97-562 % similar 1,3-Dibenzoylbenzene3770-82-961 % similar 4-Amino-3-nitrobenzophenone31431-19-361 % similar 4-Aminobenzophenone1137-41-360 % similar 3-Aminobenzophenone2835-78-159 % similar 2-Benzoylnaphthalene644-13-356 % similar 2-Amino-5-chlorobenzophenone719-59-554 % similar 4-Phenylbenzophenone2128-93-053 % 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 2-Amino-N-phenylbenzamide4424-17-3 Harmine442-51-3 3,3′-Diaminobenzophenone611-79-0

Elsewhere

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