Acetophenone, m-hydroxymethylamino-, hydrochloride
Basic information
- CAS
63990-79-4- Standard SMILES
CC(=O)c1cccc([NH+](C)O)c1.[Cl-]- InChIKey
XUIZFYDSDRUVPE-UHFFFAOYSA-N- Molecular formula
- C9H12ClNO2
- Average molar mass
- 201.65 g/mol
- Monoisotopic mass
- 201.0556563
Names & identifiers
- Preferred name
- Acetophenone, m-hydroxymethylamino-, hydrochloride
- IUPAC
- (3-acetylphenyl)-hydroxy-methylazanium chloride
Names & synonyms
ACETOPHENONE, m-HYDROXYMETHYLAMINO-, HYDROCHLORIDE63990-79-4RefChem:1075985Neosynephrine ketone hydrochloride
Database identifiers
- CAS
63990-79-4- PubChem CID
- 46193
Properties
Computed structural properties
- Topological polar surface area
- 41.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 170
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Compound notes
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