4,4′-Diaminodiphenylamine sulfate

C₁₂H₁₅N₃O₄SCAS 53760-27-3297.33 g/mol

Open in Covalent MOL file

Primary amine Secondary amine

Properties

Molecular formula: C₁₂H₁₅N₃O₄S
Molar mass: 297.33 g/mol
Exact mass: 297.0783 Da
logP: 1.94Crippen estimate
Polar surface area: 138.7 Å²
H-bond donors / acceptors: 5 / 5
Rotatable bonds: 2

Identifiers

CAS number

53760-27-3

SMILES

Nc1ccc(Nc2ccc(N)cc2)cc1.O=S(=O)(O)O

InChIKey

OOZQLPDAELLDNY-UHFFFAOYSA-N

InChI

InChI=1S/C12H13N3.H2O4S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;1-5(2,3)4/h1-8,15H,13-14H2;(H2,1,2,3,4)

Weigh it out

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

Names and synonyms

3 names

1,4-Benzenediamine, N1-(4-aminophenyl)-, sulfate (1:1)
1,4-Benzenediamine, N-(4-aminophenyl)-, sulfate (1:1)
p,p′-Diaminodiphenylamine sulfate

Work with 4,4′-Diaminodiphenylamine sulfate

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-Benzenediamine, N1-phenyl-, sulfate (2:1)4698-29-786 % similar Benzene-1,4-diamine; hydroxy hydrogen sulfite16245-77-575 % similar p-Aminophenol sulfate63084-98-062 % similar Aniline sulfate542-16-561 % similar Dimethyl-p-phenylenediamine sulfate536-47-055 % similar N,N-Dimethyl-P-phenylenediamine sulfate6219-73-455 % similar 4-Aminodiphenylamine101-54-254 % similar 1,3-Phenylenediamine sulfate541-70-853 % similar

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

Elsewhere

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