Basic information
- Standard SMILES
CC(N)C(O)c1ccccc1.Cl- InChIKey
DYWNLSQWJMTVGJ-UHFFFAOYSA-N- Molecular formula
- C9H14ClNO
- Average molar mass
- 187.66 g/mol
- Monoisotopic mass
- 187.0763918
Names & identifiers
- Preferred name
- 2-Amino-1-phenylpropan-1-ol hydrochloride
- IUPAC
- 2-amino-1-phenylpropan-1-ol;hydrochloride
Names & synonyms
2-amino-1-phenyl-1-propanol hydrochloridePrestwick_3882-amino-1-phenylpropan-1-ol hydrochlorideNorephedrine HCl(+/-)-Phenylpropanolamine hydrochloride2-amino-1-phenylpropan-1-ol;hydrochlorideSCHEMBL4011782CHEMBL1200695Phenyl propanolamine hydrochlorideDTXSID801384910VNA90904AKOS027320395
Show more names
Benzenemethanol, .alpha.-[(1S)-1-aminoethyl]-, hydrochloride, (.alpha.R)-FP6147653631-70-2DB-045612DB-048135DB-049620P0742Norephedrine-gamma,gamma,gamma-d3 hydrochloride
Database identifiers
- CAS
53631-70-2- PubChem CID
- 9065
- DTXSID
DTXSID801384910
Properties
Computed structural properties
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 110
Experimental & physicochemical properties
Collision Cross Section127.9 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Related reactions
8 records
Linked notes
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