3,4′-Diaminodiphenyl ether

C₁₂H₁₂N₂OCAS 2657-87-6200.24 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₁₂H₁₂N₂O
Molar mass: 200.24 g/mol
Exact mass: 200.0950 Da
Melting point: 72 °C
logP: 2.64Crippen estimate
Polar surface area: 61.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Danger

H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled14% of notifiers
H301 Toxic if swallowed14% of notifiers
H311 Toxic in contact with skin14% of notifiers
H315 Causes skin irritation86% of notifiers
H317 May cause an allergic skin reaction14% of notifiers
H319 Causes serious eye irritation86% of notifiers
H331 Toxic if inhaled14% of notifiers
H335 May cause respiratory irritation84.2% of notifiers
H340 May cause genetic defects10.5% of notifiers
H350 May cause cancer10.5% of notifiers
H361 Suspected of damaging fertility or the unborn child12.3% of notifiers
H410 Very toxic to aquatic life with long lasting effects14% of notifiers

Aggregated from 57 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

2657-87-6

SMILES

Nc1ccc(Oc2cccc(N)c2)cc1

InChIKey

ZBMISJGHVWNWTE-UHFFFAOYSA-N

InChI

InChI=1S/C12H12N2O/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8H,13-14H2

Weigh it out

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

Names and synonyms

12 names

Benzenamine, 3-(4-aminophenoxy)-
3-(4-Aminophenoxy)benzenamine
4,3′-Diaminodiphenyl oxide
3,4′-Oxydianiline
3-Aminophenyl 4-aminophenyl ether
3,4′-DAPE
3,4′-Oxydiphenylamine
CLP 5050
3-Amino-4′-aminodiphenyl ether
3,4′-DPE
3-(4-Aminophenoxy)aniline
3,4′-ODA

Work with 3,4′-Diaminodiphenyl ether

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

4,4′-[1,3-Phenylenebis(oxy)]bis[benzenamine]2479-46-183 % similar 3-Phenoxybenzenamine3586-12-780 % similar 3,3′-[1,3-Phenylenebis(oxy)]bis[benzenamine]10526-07-579 % similar (4-Aminophenoxy)benzene139-59-368 % similar 3,3′-[Sulfonylbis(4,1-phenyleneoxy)]bis[benzenamine]30203-11-366 % similar 4,4′-[1,4-Phenylenebis(oxy)]bis[benzenamine]3491-12-165 % similar 1,3,5-Tris(4-aminophenoxy)benzene (135tapob)102852-92-664 % similar 4,4'-Bis(4-aminophenoxy)biphenyl13080-85-858 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,4′-Diaminodiphenyl ether101-80-4 2,3,4,5-Tetrahydro-5-methyl-1H-pyrido[4,3-b]indol-1-one122852-75-9 3,3′-Oxydianiline15268-07-2 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxaldehyde22042-79-1 2-Amino-3-benzyloxypyridine24016-03-3 1-Naphthaleneacethydrazide34800-90-3 1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethanone6123-63-3 2-(1-Naphthyl)acetamidoxime66611-51-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook