Basic information
- CAS
63991-31-1- Standard SMILES
Cc1ccc(C(O)C(C)[NH3+])cc1O.[Cl-]- InChIKey
IXSOBROTCIOFLL-UHFFFAOYSA-N- Molecular formula
- C10H16ClNO2
- Average molar mass
- 217.69 g/mol
- Monoisotopic mass
- 217.0869564
Names & identifiers
- Preferred name
- 5-(2-Amino-1-hydroxypropyl)-2-methylphenol--hydrogen chloride (1/1)
- IUPAC
- [1-hydroxy-1-(3-hydroxy-4-methylphenyl)propan-2-yl]azanium chloride
Names & synonyms
DTXSID709818175-(2-Amino-1-hydroxypropyl)-2-methylphenol--hydrogen chloride (1/1)RefChem:1072367DTXCID501409086alpha-(1-Aminoethyl)-3-hydroxy-4-methylbenzyl alcohol hydrochloride63991-31-1p-Methyl-m-hydroxy-phenyl-propanolamine hydrochloride1-(3-Hydroxy-4-methylphenyl)-2-amino-1-propanol hydrochlorideBENZYL ALCOHOL, alpha-(1-AMINOETHYL)-3-HYDROXY-4-METHYL-, HYDROCHLORIDE
Database identifiers
- CAS
63991-31-1- PubChem CID
- 46265
Properties
Computed structural properties
- Topological polar surface area
- 68.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 163
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…