chempirical

Benzylethanolamine

C9H13NOCAS 104-63-2151.21 g/mol

Open in Covalent MOL file
HONH
AlcoholSecondary 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

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

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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 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

Same formula

3-Ethylamino-P-cresol120-37-6 γ-Aminobenzenepropanol14593-04-5 Phenylalaninol16088-07-6 3-Methoxyphenethylamine2039-67-0 2-Methoxyphenethylamine2045-79-6 (+)-1-(4-Methoxyphenyl)ethylamine22038-86-4 3-(Dimethylamino)benzenemethanol23501-93-1 2-Butoxypyridine27361-16-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook