1-Fluoro-1-deoxyephedrine
Basic information
- CAS
161403-39-0- Standard SMILES
CN[C@@H](C)[C@H]([18F])c1ccccc1- InChIKey
QHGKNGIWQABHRY-QJOTUPEMSA-N- Molecular formula
- C10H14FN
- Average molar mass
- 166.23 g/mol
- Monoisotopic mass
- 166.113562
Overview
RN refers to ((R)-(R*,S*))-isomer; structure given in first source
Names & identifiers
- Preferred name
- 1-Fluoro-1-deoxyephedrine
- IUPAC
- (1R,2S)-1-(18F)fluoro-N-methyl-1-phenylpropan-2-amine
- English name
- 1-fluoro-1-deoxyephedrine
- Molecular weight
- 0
Names & synonyms
1-Fluoro-1-deoxyephedrine161403-39-0RefChem:75798(18F)Fde(18F)Fdp1-Fluoro-1-deoxypseudoephedrineDTXSID909365211-(~18~F)Fluoro-N-methyl-1-phenylpropan-2-amine(1R,2S)-1-(~18~F)Fluoro-N-methyl-1-phenylpropan-2-amine
Database identifiers
- CAS
161403-39-0- PubChem CID
- 190963
- DTXSID
DTXSID90936521
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 121
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…