chempirical

3,4'-Diaminodiphenylmethane

C13H14N2CAS 19430-83-2198.27 g/mol

Open in Covalent MOL file
NH2NH2
Primary amine

Properties

Molecular formula
C13H14N2
Molar mass
198.27 g/mol
Exact mass
198.1157 Da
logP
2.44Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
19430-83-2
SMILES
C1=CC(=CC(=C1)N)CC2=CC=C(C=C2)N
InChIKey
FGWQCROGAHMWSU-UHFFFAOYSA-N
InChI
InChI=1S/C13H14N2/c14-12-6-4-10(5-7-12)8-11-2-1-3-13(15)9-11/h1-7,9H,8,14-15H2

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Names and synonyms

1 names
  • Benzenamine, 3-((4-aminophenyl)methyl)-

Work with 3,4'-Diaminodiphenylmethane

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-Benzylaniline1135-12-268 % similar Benzenamine, 4-(phenylmethyl)-, hydrochloride (1:1)6317-57-361 % similar 2-(3-Aminophenyl)ethanol52273-77-559 % similar 3-Aminobenzylamine4403-70-757 % similar 3-Aminobenzyl alcohol1877-77-655 % similar 3-Ethylaniline587-02-055 % similar 4-(4-Pyridylmethyl)aniline27692-74-652 % similar M-Phenylenediamine108-45-250 % similar

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

Same formula

4,4′-Methylenedianiline101-77-9 1,3-Bis(4′-pyridyl)propane17252-51-6 3,3'-Diaminodiphenylmethane19471-12-6 Tacrine321-64-2 1-Phenyl-1-(phenylmethyl)hydrazine614-31-3

Elsewhere

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