chempirical

3,3′-Oxydianiline

C12H12N2OCAS 15268-07-2200.24 g/mol

Open in Covalent MOL file
NH2OH2N
EtherPrimary amine

Properties

Molecular formula
C12H12N2O
Molar mass
200.24 g/mol
Exact mass
200.0950 Da
Melting point
37 °C
Boiling point
190–191 °C (at 14 Torr)
logP
2.64Crippen estimate
Polar surface area
61.3 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
15268-07-2
SMILES
Nc1cccc(Oc2cccc(N)c2)c1
InChIKey
LXJLFVRAWOOQDR-UHFFFAOYSA-N
InChI
InChI=1S/C12H12N2O/c13-9-3-1-5-11(7-9)15-12-6-2-4-10(14)8-12/h1-8H,13-14H2

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Names and synonyms

9 names
  • 3,3'-Oxydianiline
  • 3,3′-Diaminodiphenyl ether
  • Benzenamine, 3,3′-oxybis-
  • Aniline, 3,3′-oxydi-
  • 3,3′-Oxybis[benzenamine]
  • Bis(3-Aminophenyl) ether
  • 3-(3-Aminophenoxy)aniline
  • 3,3′-Oxydiphenylamine
  • 3-(3-Aminophenoxy)benzenamine

Work with 3,3′-Oxydianiline

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

3,3′-[1,3-Phenylenebis(oxy)]bis[benzenamine]10526-07-595 % similar 3-Phenoxybenzenamine3586-12-786 % similar 1,3-Bis(4-aminophenoxy)benzene2479-46-167 % similar M-Anisidine536-90-364 % similar 3,3′-[Sulfonylbis(4,1-phenyleneoxy)]bis[benzenamine]30203-11-363 % similar M-Phenylenediamine108-45-260 % similar 3-(Trifluoromethoxy)aniline1535-73-557 % similar 3-(Difluoromethoxy)aniline22236-08-457 % 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 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxaldehyde22042-79-1 2-Amino-3-benzyloxypyridine24016-03-3 3,4′-Diaminodiphenyl ether2657-87-6 1-Naphthaleneacethydrazide34800-90-3 1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethanone6123-63-3 2-(1-Naphthyl)acetamidoxime66611-51-6

Elsewhere

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