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

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501

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

4 names

4,4′-Diaminodiphenylamine sulfate
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 1,4-Benzenediamine sulfate16245-77-575 % similar p-Aminophenol sulfate63084-98-062 % similar Aniline sulfate542-16-561 % similar N,N-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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