Basic information
- CAS
2462-53-5- Standard SMILES
CC(O)(CN)c1ccc(O)cc1- InChIKey
GNHGGBLPXQMDFG-UHFFFAOYSA-N- Molecular formula
- C9H13NO2
- Average molar mass
- 167.2 g/mol
- Monoisotopic mass
- 167.09462866
Names & identifiers
- Preferred name
- alpha-Methyl-4-octopamine
- IUPAC
- 4-(1-amino-2-hydroxypropan-2-yl)phenol
- English name
- alpha-methyl-4-octopamine
- Molecular formula
- C9H13NO2
- Molecular weight
- 167.21
Names & synonyms
alpha-Methyl-4-octopaminealpha-Methyl-p-octopamine2462-53-5RefChem:111311Benzenemethanol, alpha-(aminomethyl)-4-hydroxy-alpha-methyl-4-(1-amino-2-hydroxypropan-2-yl)phenolDTXSID10947518AKOS022808050Benzenemethanol, α-(aminomethyl)-4-hydroxy-α-methyl-
Database identifiers
- CAS
2462-53-5- PubChem CID
- 3081981
- DTXSID
DTXSID10947518
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 143
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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