3-(Diethylamino)phenol

C₁₀H₁₅NOCAS 91-68-9165.24 g/mol

Open in Covalent MOL file

Phenol Tertiary amine

Properties

Molecular formula: C₁₀H₁₅NO
Molar mass: 165.24 g/mol
Exact mass: 165.1154 Da
Melting point: 78 °C
Boiling point: 276 °C
Water solubility: < 1 g/L (20.5 °C)
logP: 2.24Crippen estimate
Polar surface area: 23.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Danger

H301 Toxic if swallowed72.5% of notifiers
H315 Causes skin irritation26.9% of notifiers
H319 Causes serious eye irritation26.9% of notifiers
H335 May cause respiratory irritation25.6% of notifiers
H411 Toxic to aquatic life with long lasting effects71.9% of notifiers

Aggregated from 160 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

91-68-9

SMILES

CCN(CC)c1cccc(O)c1

InChIKey

WAVOOWVINKGEHS-UHFFFAOYSA-N

InChI

InChI=1S/C10H15NO/c1-3-11(4-2)9-6-5-7-10(12)8-9/h5-8,12H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

11 names

Phenol, 3-(diethylamino)-
Phenol, m-(diethylamino)-
m-(Diethylamino)phenol
N,N-Diethyl-m-aminophenol
3-Hydroxy-N,N-diethylaniline
N,N-Diethyl-3-hydroxyaniline
N,N-Diethyl-3-aminophenol
m-Hydroxy-N,N-diethylaniline
NSC 93934
3-(N,N-Diethylamino)phenol
N,N-Diethyl-3-hydroxybenzenamine

Work with 3-(Diethylamino)phenol

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

N,N-Dibutyl-3-aminophenol43141-69-164 % similar N,N-Diethyl-m-toluidine91-67-858 % similar 1-(3-Hydroxyphenyl)piperazine59817-32-258 % similar 3-(Dimethylamino)phenol99-07-057 % similar Diethylaniline91-66-754 % similar 1-Acetyl-4-(3-hydroxyphenyl)piperazine67915-02-051 % similar N-[3-(Diethylamino)phenyl]acetamide6375-46-850 % similar 3-Methyl-N-ethyl-N-(β-hydroxyethyl)aniline91-88-347 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Benzyl-N-methylethanolamine101-98-4 3-[1-(Dimethylamino)ethyl]phenol105601-04-5 2-Amino-4-tert-butylphenol1199-46-8 (S)-3-[1-(Dimethylamino)ethyl]phenol139306-10-8 N-Ethyl-4-methoxybenzylamine22993-76-6 N-Methyl-N-(2-hydroxyethyl)-p-toluidine2842-44-6 Ephedrine299-42-3 Perillartine30950-27-7

Elsewhere

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