chempirical

4,4′-Diaminobenzophenone

C13H12N2OCAS 611-98-3212.25 g/mol

Open in Covalent MOL file
H2NONH2
KetonePrimary amine

Properties

Molecular formula
C13H12N2O
Molar mass
212.25 g/mol
Exact mass
212.0950 Da
Melting point
241 °C
logP
2.08Crippen estimate
Polar surface area
69.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
611-98-3
SMILES
Nc1ccc(C(=O)c2ccc(N)cc2)cc1
InChIKey
ZLSMCQSGRWNEGX-UHFFFAOYSA-N
InChI
InChI=1S/C13H12N2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H,14-15H2

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Names and synonyms

9 names
  • Methanone, bis(4-aminophenyl)-
  • Benzophenone, 4,4′-diamino-
  • Bis(4-aminophenyl)methanone
  • p,p′-Diaminobenzophenone
  • 4,4′-Carbonyldianiline
  • 4,4′-Diaminodiphenyl ketone
  • NSC 6096
  • 4,4′-Bis-aminobenzophenone
  • Bis(4-aminophenyl) ketone

Work with 4,4′-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

4-Aminobenzophenone1137-41-382 % similar 4-Aminobenzamide2835-68-961 % similar 4-Aminobenzoic acid150-13-056 % similar P-Aminoacetophenone99-92-356 % similar 1,4-Dibenzoylbenzene3016-97-555 % similar 3,3′-Diaminobenzophenone611-79-054 % similar 3-Aminobenzophenone2835-78-154 % similar 4-Aminobenzoic acid hydrazide5351-17-752 % 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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