1,4-Acetyldeoxyephedrine
Basic information
- CAS
34145-17-0- Standard SMILES
CNC(C)Cc1ccc(C(C)=O)cc1- InChIKey
CGQRHROGIPQUJJ-UHFFFAOYSA-N- Molecular formula
- C12H17NO
- Average molar mass
- 191.27 g/mol
- Monoisotopic mass
- 191.13101417
Names & identifiers
- Preferred name
- 1,4-Acetyldeoxyephedrine
- IUPAC
- 1-[4-[2-(methylamino)propyl]phenyl]ethanone
Names & synonyms
1-p-Acetyldeoxyephedrine1,4-Acetyldeoxyephedrine34145-17-0RefChem:73034W4010Ethanone, 1-(4-(2-(methylamino)propyl)phenyl)-, (R)-1-[4-[2-(methylamino)propyl]phenyl]ethanoneDTXSID909556911-{4-[2-(Methylamino)propyl]phenyl}ethan-1-one
Database identifiers
- CAS
34145-17-0- PubChem CID
- 3084584
- DTXSID
DTXSID90955691
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 183
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Compound notes
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