N-Phenyldiethanolamine

C₁₀H₁₅NO₂CAS 120-07-0181.24 g/mol

Open in Covalent MOL file

Alcohol Tertiary amine

Properties

Molecular formula: C₁₀H₁₅NO₂
Molar mass: 181.24 g/mol
Exact mass: 181.1103 Da
Melting point: 57 °C
Boiling point: 200 °C
logP: 0.48Crippen estimate
Polar surface area: 43.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 5

Hazards

Danger

H302 Harmful if swallowed60.6% of notifiers
H315 Causes skin irritation23.1% of notifiers
H317 May cause an allergic skin reaction64% of notifiers
H318 Causes serious eye damage86.2% of notifiers
H319 Causes serious eye irritation13.8% of notifiers
H335 May cause respiratory irritation23.1% of notifiers
H370 Causes damage to organs50.5% of notifiers
H371 May cause damage to organs13.5% of notifiers
H412 Harmful to aquatic life with long lasting effects64.6% of notifiers

Aggregated from 325 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P308+P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

120-07-0

SMILES

OCCN(CCO)c1ccccc1

InChIKey

OJPDDQSCZGTACX-UHFFFAOYSA-N

InChI

InChI=1S/C10H15NO2/c12-8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2

Weigh it out

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

Names and synonyms

27 names · show all

Ethanol, 2,2′-(phenylimino)bis-
Ethanol, 2,2′-(phenylimino)di-
2,2′-(Phenylimino)bis[ethanol]
Diethanolaminobenzene
Diethanolaniline
N,N-Di(2-hydroxyethyl)aniline
2,2′-(Phenylimino)diethanol
Phenyldiethanolamine
N,N-Di(β-hydroxyethyl)aniline
N,N-Bis(2-hydroxyethyl)aniline
Phenylbis(2-hydroxyethyl)amine
N,N-Diethanolaniline
N-Phenyl-N,N-diethanolamine
Diethanolphenylamine
N,N-Bis(β-hydroxyethyl)aniline
[Bis(2-hydroxyethyl)amino]benzene
N-Phenyliminodiethanol
3-Phenyl-3-azapentane-1,5-diol
NSC 6327
2-[(2-Hydroxyethyl)phenylamino]ethanol
N,N-Dihydroxyethylaniline
N,N-Bis(2-hydroxyethyl)-N-phenylamine
Bis(2-hydroxyethyl)aniline
2,2′-(Phenylazanediyl)diethanol
2-[N-(2-Hydroxyethyl)anilino]ethanol
2-[(2-Hydroxyethyl)(phenyl)amino]ethan-1-ol
N-Phenyl diethanolamine

Work with N-Phenyldiethanolamine

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-[(2-Hydroxyethyl)phenylamino]propanenitrile92-64-874 % similar 2-(Ethylphenylamino)ethanol92-50-273 % similar 2-(Butylphenylamino)ethanol3046-94-471 % similar 2,2'-((3-Methylphenyl)imino)bisethanol91-99-662 % similar 1-Phenylpyrrolidine4096-21-361 % similar 2,2′-[(3-Chlorophenyl)imino]bis[ethanol]92-00-261 % similar N,N-Bis(2-hydroxyethyl)-p-toluidine3077-12-159 % similar 2-(Methylphenylamino)ethanol93-90-359 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(4-Methoxy-phenoxy)-propylamine100841-00-7 3-Azaspiro[5.5]undecane-2,4-dione1130-32-1 (2A,6A,8A,9Ab)-hexahydro-8-hydroxy-2,6-methano-2H-quinolizin-3(4H)-one115956-07-5 3,4-Dimethoxyphenethylamine120-20-7 3-Ethynyl-1-azetidinecarboxylic acid tert-butyl ester287193-01-5 2,3-Dimethoxyphenethylamine3213-29-4 2C-H3600-86-0 (±)-Hydroxyephedrine365-26-4

Elsewhere

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