chempirical

4,4′-Diaminobenzanilide

C13H13N3OCAS 785-30-8227.27 g/mol

Open in Covalent MOL file
H2NNHOH2N
Primary amine

Properties

Molecular formula
C13H13N3O
Molar mass
227.27 g/mol
Exact mass
227.1059 Da
Melting point
204 °C
logP
2.49Crippen estimate
Polar surface area
84.6 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
2

Identifiers

CAS number
785-30-8
SMILES
Nc1ccc(N=C(O)c2ccc(N)cc2)cc1
InChIKey
XPAQFJJCWGSXGJ-UHFFFAOYSA-N
InChI
InChI=1S/C13H13N3O/c14-10-3-1-9(2-4-10)13(17)16-12-7-5-11(15)6-8-12/h1-8H,14-15H2,(H,16,17)

Weigh it out

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

Names and synonyms

8 names
  • Benzamide, 4-amino-N-(4-aminophenyl)-
  • Benzanilide, 4,4′-diamino-
  • 4-Amino-N-(4-aminophenyl)benzamide
  • 4-Aminobenzoyl-4′-aminoanilide
  • N-(4-Aminophenyl)-4-aminobenzamide
  • NSC 37092
  • DABAN
  • 4,4′-Diaminodiphenylamide

Work with 4,4′-Diaminobenzanilide

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-Amino-N-[4-(aminocarbonyl)phenyl]benzamide74441-06-877 % similar 4-Aminoacetanilide122-80-553 % similar N-(3-Aminophenyl)benzamide16091-26-253 % similar 4-Aminobenzoic acid150-13-047 % similar Sulfabenzamide127-71-945 % similar 3-Amino-4-methoxy-N-phenylbenzamide120-35-441 % similar 4,4′-Diaminobenzophenone611-98-341 % similar (5R)-6-(4-Aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone101328-85-240 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook