(1S)-2-Amino-1-phenylethan-1-ol
Properties
- Molecular formula
- C8H11NO
- Molar mass
- 137.18 g/mol
- Exact mass
- 137.0841 Da
- logP
- 0.68Crippen estimate
- Polar surface area
- 46.3 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 2
- Stereocentres
- Sin SMILES atom order
Hazards
Danger
- H302 Harmful if swallowed89.6% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501
Identifiers
CAS number
56613-81-1SMILES
C1=CC=C(C=C1)[C@@H](CN)OInChIKey
ULSIYEODSMZIPX-MRVPVSSYSA-NInChI
InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2/t8-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- (S)-(-)-2-Phenylglycinol
Work with (1S)-2-Amino-1-phenylethan-1-ol
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.