Basic information
- CAS
826-01-7- Standard SMILES
NC[C@@H](O)c1ccc(O)cc1- InChIKey
QHGUCRYDKWKLMG-MRVPVSSYSA-N- Molecular formula
- C8H11NO2
- Average molar mass
- 153.18 g/mol
- Monoisotopic mass
- 153.07897859
Overview
(S)-octopamine is an octopamine. It is an enantiomer of a (R)-octopamine.
Names & identifiers
- Preferred name
- (S)-octopamine
- IUPAC
- 4-[(1S)-2-amino-1-hydroxyethyl]phenol
- English name
- (αS)-α-(Aminomethyl)-4-hydroxybenzenemethanol
- Molecular formula
- C8H11NO2
- Molecular weight
- 153.17844
Names & synonyms
4-[(1S)-2-amino-1-hydroxyethyl]phenol(S)-octopamineCHEBI:448084-((1S)-2-amino-1-hydroxyethyl)phenolRefChem:1051207(+)-OctopamineL-Octopamine(+)-Octapamine(+)-Norsynephrine(S)-p-OctopamineOctopamine, (+)-(S)-(+)-Octopamine
Show more names
(S)-2-Amino-1-(4-hydroxyphenyl)ethanol(1S)-2-Amino-1-(4-hydroxyphenyl)ethanol(S)-a-(Aminomethyl)-4-hydroxybenzenemethanol2-amino-1-(3-chloro-4-fluorophenyl)ethan-1-ol(αS)-α-(Aminomethyl)-4-hydroxybenzenemethanol[S,(+)]-α-(Aminomethyl)-4-hydroxybenzyl alcohol
826-01-7UNII-72SH47FL4X72SH47FL4X4-(2S-AMINO-1-HYDROXYETHYL)PHENOLCHEMBL1235033Benzenemethanol, alpha-(aminomethyl)-4-hydroxy-, (alphaS)-OTSS-OCTOPAMINE
Database identifiers
- CAS
826-01-7- PubChem CID
- 448337
- ChEMBL
CHEMBL1235033- ChEBI
CHEBI:44808- UNII
- 72SH47FL4X
- Nikkaji
- J63.366F
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 111
Physicochemical properties
- FDA UNII
- 72 SH47FL4X · 72SH47FL4X
Chemistry & industry
Suppliers2 total
韶远科技（上海）有限公司4000665055 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Additional notes
DefinitionChEBI: (S)-octopamine is an octopamine. It is an enantiomer of a (R)-octopamine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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