3-Hydroxydiphenylamine

C₁₂H₁₁NOCAS 101-18-8185.23 g/mol

Open in Covalent MOL file

Phenol Secondary amine

Properties

Molecular formula: C₁₂H₁₁NO
Molar mass: 185.23 g/mol
Exact mass: 185.0841 Da
Melting point: 81.5 °C
Boiling point: 340 °C
Water solubility: < 1 g/L (22.5 °C)
logP: 3.14Crippen estimate
Polar surface area: 32.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed71.1% of notifiers
H315 Causes skin irritation30.9% of notifiers
H318 Causes serious eye damage69.1% of notifiers
H319 Causes serious eye irritation30.9% of notifiers
H335 May cause respiratory irritation98.7% of notifiers
H411 Toxic to aquatic life with long lasting effects68.4% of notifiers

Aggregated from 152 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

101-18-8

SMILES

Oc1cccc(Nc2ccccc2)c1

InChIKey

NDACNGSDAFKTGE-UHFFFAOYSA-N

InChI

InChI=1S/C12H11NO/c14-12-8-4-7-11(9-12)13-10-5-2-1-3-6-10/h1-9,13-14H

Weigh it out

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

Names and synonyms

9 names

Phenol, 3-(phenylamino)-
Phenol, m-anilino-
3-(Phenylamino)phenol
m-Anilinophenol
m-Hydroxydiphenylamine
m-(Phenylamino)phenol
3-Anilinophenol
NSC 56930
3-Hydroxy-N-phenylaniline

Work with 3-Hydroxydiphenylamine

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

3-[(4-Methylphenyl)amino]phenol61537-49-369 % similar 3-[(2-Methylphenyl)amino]phenol6264-98-859 % similar Diphenylamine122-39-455 % similar 3-Chlorodiphenylamine101-17-754 % similar 3-Methyldiphenylamine1205-64-754 % similar N-Phenyl-2-naphthylamine135-88-654 % similar Resorcinol108-46-352 % similar N,N′-Diphenyl-p-phenylenediamine74-31-752 % similar

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

Same formula

2-Amino-4-phenylphenol1134-36-7 4-Hydroxydiphenylamine122-37-2 (4-Aminophenoxy)benzene139-59-3 1,2,3,9-Tetrahydro-4H-carbazol-4-one15128-52-6 2-Phenoxyaniline2688-84-8 2,2-Dimethyl-2H-chromene-6-carbonitrile33143-29-2 3-Phenoxybenzenamine3586-12-7 Pirfenidone53179-13-8

Elsewhere

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