3,3'-Diaminodiphenylmethane

C₁₃H₁₄N₂CAS 19471-12-6198.27 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed97.8% of notifiers
H312 Harmful in contact with skin97.8% of notifiers
H315 Causes skin irritation91.1% of notifiers
H319 Causes serious eye irritation91.1% of notifiers
H332 Harmful if inhaled97.8% of notifiers
H335 May cause respiratory irritation88.9% of notifiers
H351 Suspected of causing cancer97.8% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

19471-12-6

SMILES

C1=CC(=CC(=C1)N)CC2=CC(=CC=C2)N

InChIKey

CKOFBUUFHALZGK-UHFFFAOYSA-N

InChI

InChI=1S/C13H14N2/c14-12-5-1-3-10(8-12)7-11-4-2-6-13(15)9-11/h1-6,8-9H,7,14-15H2

Weigh it out

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

Names and synonyms

1 names

Benzenamine, 3,3'-methylenebis-

Work with 3,3'-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

2-(3-Aminophenyl)ethanol52273-77-568 % similar 3-Aminobenzylamine4403-70-767 % similar 3-Aminobenzyl alcohol1877-77-664 % similar 3-Ethylaniline587-02-064 % similar M-Phenylenediamine108-45-260 % similar 3-Amino-N-methylbenzenemethanamine18759-96-157 % similar m-Phenylenediamine hydrochloride541-69-552 % similar 4-Benzylaniline1135-12-252 % 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 3,4'-Diaminodiphenylmethane19430-83-2 Tacrine321-64-2 1-Phenyl-1-(phenylmethyl)hydrazine614-31-3

Elsewhere

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