Phenylethanolamine
Properties
- Molecular formula
- C8H11NO
- Molar mass
- 137.18 g/mol
- Exact mass
- 137.0841 Da
- Melting point
- 56.5 °C
- Boiling point
- 160 °C
- logP
- 0.68Crippen estimate
- Polar surface area
- 46.3 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation95.7% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
7568-93-6SMILES
NCC(O)c1ccccc1InChIKey
ULSIYEODSMZIPX-UHFFFAOYSA-NInChI
InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
32 names · show all
- Benzenemethanol, α-(aminomethyl)-
- Benzyl alcohol, α-(aminomethyl)-
- α-(Aminomethyl)benzenemethanol
- β-Phenylethanolamine
- Bisnorephedrine
- β-Hydroxyphenylethylamine
- Benzeneethanamine, β-hydroxy-
- 2-Hydroxy-2-phenylethylamine
- 2-Phenyl-2-hydroxyethylamine
- β-Hydroxyphenethylamine
- β-Phenethanolamine
- 2-Amino-1-phenylethanol
- α-(Aminomethyl)benzyl alcohol
- Phenethanolamine
- β-Hydroxy-β-phenylethylamine
- 1-Phenyl-2-aminoethanol
- Apophedrin
- 2-Amino-1-phenyl-1-ethanol
- 1-Phenyl-1-hydroxy-2-aminoethane
- (±)-Phenylethanolamine
- DL-β-Hydroxy-β-phenethylamine
- (±)-2-Amino-1-phenylethanol
- Dl-Phenylethanolamine
- Dl-β-Hydroxyphenylethylamine
- (±)-α-Phenylglycinol
- (±)-1-Phenylethanolamine
- (±)-β-Hydroxyphenethylamine
- 1-Phenylethanolamine
- rac-2-Amino-1-phenylethanol
- NSC 46837
- NSC 5021
- (RS)-2-Amino-1-phenylethanol
Work with Phenylethanolamine
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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Octopamine104-14-363 % similar
(R)-2-Chloro-1-phenylethanol56751-12-362 % similar
(1R)-(-)-1-Phenylethane-1,2-diol16355-00-358 % similar
(S)-(+)-1-Phenyl-1,2-ethanediol25779-13-958 % similar
1-Phenyl-1,2-ethanediol7138-28-558 % similar
1-Phenyl-1,2-ethanediol93-56-158 % similar
(±)-Octopamine hydrochloride770-05-857 % similar
2,2-Diphenylethylamine3963-62-056 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.