2,4-Diaminodiphenylamine

C₁₂H₁₃N₃CAS 136-17-4199.26 g/mol

Open in Covalent MOL file

Primary amine Secondary amine

Properties

Molecular formula: C₁₂H₁₃N₃
Molar mass: 199.26 g/mol
Exact mass: 199.1109 Da
logP: 2.59Crippen estimate
Polar surface area: 64.1 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 2

Hazards

Danger

H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled88.6% of notifiers
H301 Toxic if swallowed97.7% of notifiers
H311 Toxic in contact with skin97.7% of notifiers
H319 Causes serious eye irritation88.6% of notifiers
H331 Toxic if inhaled88.6% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure97.7% of notifiers
H400 Very toxic to aquatic life88.6% of notifiers
H410 Very toxic to aquatic life with long lasting effects88.6% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P337+P317, P361+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

136-17-4

SMILES

Nc1ccc(Nc2ccccc2)c(N)c1

InChIKey

VOSLIUIVGWBSOK-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

5 names

1,2,4-Benzenetriamine, N1-phenyl-
N1-Phenyl-1,2,4-benzenetriamine
NSC 401132
NSC 6092
1-N-Phenylbenzene-1,2,4-triamine

Work with 2,4-Diaminodiphenylamine

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

N-Phenyl-o-phenylenediamine534-85-062 % similar 5-Amino-2-(phenylamino)benzenesulfonic acid91-30-558 % similar 4-Aminodiphenylamine101-54-255 % similar HC Red 12784-89-654 % similar 4,4′-Diaminodiphenylamine-2-sulfonic acid119-70-045 % similar N1-(4-Chlorophenyl)-1,2-benzenediamine68817-71-044 % similar 1,4-Benzenediamine, N1-phenyl-, sulfate (2:1)4698-29-742 % similar Diphenylamine122-39-441 % similar

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

Same formula

Dipicolylamine1539-42-0 3,3′-(Phenylimino)bis[propanenitrile]1555-66-4 3-Cyclopropyl-1-phenyl-1H-pyrazol-5-amine175137-45-8 Pyrimethanil53112-28-0

Elsewhere

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