Basic information
- CAS
63950-97-0- Standard SMILES
CN[C@@H](C)[C@H](OC(C)=O)c1ccccc1- InChIKey
WCDSTFHSWVDGPD-CABZTGNLSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592878
Names & identifiers
- Preferred name
- Ephedrine, O-acetyl-
- IUPAC
- [(1R,2S)-2-(methylamino)-1-phenylpropyl] acetate
Names & synonyms
63950-97-0Ephedrine, O-acetyl-RefChem:1084125O-Acetylephedrine[(1R,2S)-2-(methylamino)-1-phenylpropyl] acetate(1r,2s)-2-(methylamino)-1-phenylpropyl acetateDTXSID509812942-(Methylamino)-1-phenylpropyl acetateBenzenemethanol, a-[1-(methylamino)ethyl]-, acetate(ester), [R-(R*,S*)]- (9CI)
Database identifiers
- CAS
63950-97-0- PubChem CID
- 71291
- DTXSID
DTXSID50981294- Nikkaji
- J91.219K
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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