4,4′-Diaminodiphenyl ether
Properties
- Molecular formula
- C12H12N2O
- Molar mass
- 200.24 g/mol
- Exact mass
- 200.0950 Da
- Melting point
- 186–187 °C
- Boiling point
- above 300 °C
- Flash point
- 219 °C (closed cup)
- Water solubility
- < 100 mg/L (15 °C)
- logP
- 2.64Crippen estimate
- Polar surface area
- 61.3 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 2
Hazards
Danger
- H301 Toxic if swallowedAcute toxicity, oral
- H311 Toxic in contact with skinAcute toxicity, dermal
- H331 Toxic if inhaledAcute toxicity, inhalation
- H340 May cause genetic defectsGerm cell mutagenicity
- H350 May cause cancerCarcinogenicity
- H361f *** Suspected of damaging fertilityReproductive toxicity
- H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI), via PubChem.
Precautionary statements
P203, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P318, P321, P330, P361+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
101-80-4SMILES
Nc1ccc(Oc2ccc(N)cc2)cc1InChIKey
HLBLWEWZXPIGSM-UHFFFAOYSA-NInChI
InChI=1S/C12H12N2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
33 names · show all
- 4,4'-Diaminodiphenyl ether
- 4,4'-Oxydianiline
- Benzenamine, 4,4′-oxybis-
- Aniline, 4,4′-oxydi-
- 4,4′-Oxybis[benzenamine]
- 4,4′-Diaminophenyl ether
- p,p′-Oxydianiline
- Oxybis(4-aminobenzene)
- Oxydi-p-phenylenediamine
- 4,4′-Oxydianiline
- Bis(4-aminophenyl) ether
- p,p′-Oxybis[aniline]
- p,p′-Diaminodiphenyl ether
- Bis(p-aminophenyl) ether
- 4,4′-Diaminobiphenyl oxide
- Oxydianiline
- 4-Aminophenyl ether
- 4,4′-Oxybis(aniline)
- p-Aminophenyl ether
- 4,4′-Oxydiphenylamine
- ODA
- 4,4′-Diaminobiphenyl ether
- 4,4′-Diaminodiphenyl oxide
- NSC 37075
- NSC 6089
- 4-(4-Aminophenoxy)phenylamine
- DPE
- DPE (amine)
- Di(4-aminophenyl) ether
- 1-Amino-4-(4-aminophenoxy)benzene
- DDE
- 4-(4′-Aminophenoxy)benzenamine
- 4-(4-Aminophenoxy)aniline
Work with 4,4′-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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
4,4′-[1,4-Phenylenebis(oxy)]bis[benzenamine]3491-12-1100 % similar
1,3,5-Tris(4-aminophenoxy)benzene (135tapob)102852-92-683 % similar
4,4'-Bis(4-aminophenoxy)biphenyl13080-85-883 % similar
(4-Aminophenoxy)benzene139-59-379 % similar
4-(4-Chlorophenoxy)benzenamine101-79-171 % similar
1,3-Bis(4-aminophenoxy)benzene2479-46-171 % similar
4-(4-Methylphenoxy)benzenamine41295-20-971 % similar
2,2-Bis[4-(4-aminophenoxy)phenyl]propane13080-86-963 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds
Same formula
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
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