Benzylethanolamine

C₉H₁₃NOCAS 104-63-2151.21 g/mol

Open in Covalent MOL file

Alcohol Secondary amine

Properties

Molecular formula: C₉H₁₃NO
Molar mass: 151.21 g/mol
Exact mass: 151.0997 Da
Density: 1.179 g/mL (at 25 °C)
Melting point: 94–95 °C
Boiling point: 153–156 °C
logP: 0.77Crippen estimate
Polar surface area: 32.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

Hazards

Danger

H314 Causes severe skin burns and eye damage42.9% of notifiers
H315 Causes skin irritation57.1% of notifiers
H319 Causes serious eye irritation57.1% of notifiers

Aggregated from 14 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P332+P317, P337+P317, P362+P364, P363, P405, P501

Identifiers

CAS number

104-63-2

SMILES

OCCNCc1ccccc1

InChIKey

XNIOWJUQPMKCIJ-UHFFFAOYSA-N

InChI

InChI=1S/C9H13NO/c11-7-6-10-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2

Weigh it out

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

Names and synonyms

17 names · show all

Ethanol, 2-[(phenylmethyl)amino]-
Ethanol, 2-(benzylamino)-
2-[(Phenylmethyl)amino]ethanol
N-Benzylethanolamine
N-Benzylaminoethanol
2-(Benzylamino)ethanol
Benzylaminoethanol
Benzyl(2-hydroxyethyl)amine
N-Benzyl-2-hydroxyethylamine
2-(N-Benzylamino)ethanol
N-Benzyl-2-aminoethanol
N-(2-Hydroxyethyl)benzenemethanamine
NSC 11271
NSC 177008
NSC 60267
N-(2-Hydroxyethyl)benzylamine
2-(Benzylamino)ethan-1-ol

Work with Benzylethanolamine

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-(Benzylamino)propanol4720-29-080 % similar Benzathine140-28-373 % similar Benzylphenethylamine3647-71-067 % similar 2-(4-Fluorobenzylamino)ethanol22116-33-264 % similar Dibenzylamine103-49-164 % similar N-Benzylethylenediamine4152-09-459 % similar N-Benzyl-1,3-propanediamine13910-48-055 % similar N-Butylbenzylamine2403-22-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Ethylamino-p-cresol120-37-6 γ-Aminobenzenepropanol14593-04-5 3-Methoxy-N,N-dimethylbenzenamine15799-79-8 Phenylalaninol16088-07-6 4-(Dimethylamino)benzyl alcohol1703-46-4 (R)-3-Amino-3-phenylpropan-1-ol170564-98-4 3-Methoxyphenethylamine2039-67-0 2-Methoxyphenethylamine2045-79-6

Elsewhere

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