Basic information
- CAS
299-42-3- Standard SMILES
CNC(C)C(O)c1ccccc1- InChIKey
KWGRBVOPPLSCSI-UHFFFAOYSA-N- Molecular formula
- C10H15NO
- Average molar mass
- 165.23 g/mol
- Monoisotopic mass
- 165.1153641
Overview
2-(methylamine)-1-phenyl-1-propanol has been reported in Ephedra distachya and Ephedra with data available.
Names & identifiers
- Preferred name
- DL-Ephedrine
- IUPAC
- 2-(methylamino)-1-phenylpropan-1-ol
- English name
- 2-(METHYLAMINO)-1-PHENYL-1-PROPANOL
- Molecular formula
- C10H15NO
- Molecular weight
- 165.24
Names & synonyms
racephedrine2-(methylamino)-1-phenylpropan-1-olRacefedrinaEphedrine dl-racephedrinumDL-EphedrineRefChem:1083897202-017-003VRY6607690-81-353214-57-62-(Methylamino)-1-phenyl-1-propanol
Show more names
NSC 1656091-Phenyl-2-methylamino-1-propanolN,α-Dimethyl-β-hydroxyphenethylamineα-[1-(Methylamino)ethyl]benzyl alcoholα-[1-(Methylamino)ethyl]benzenemethanolBenzenemethanol, α-[1-(methylamino)ethyl]-
1-EPHEDRINEBenzenemethanol, .alpha.-[1-(methylamino)ethyl]-Benzyl alcohol, .alpha.-(1-methylaminoethyl)-Ephedrine,(+)(1R,2S)-(-)-ephedrineEphedrine, (-)-Pseudoephedrine, (-)1-.alpha.-(1-Methylaminoethyl)-benzyl alcohol
Database identifiers
- CAS
299-42-3、53214-57-6、90-81-3- PubChem CID
- 5032
- DTXSID
DTXSID70858959- ChEMBL
CHEMBL279157
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 121
Experimental & physicochemical properties
DrugsPharmaceuticals
Dissociation Constants9.73
Collision Cross Section133.23 Ų [M+H-H2O]+
Physicochemical properties
- Melting point
- 118 · 118-118.7 °C
- Boiling point
- 255 · 255.0±0.0 °C(Predicted)
- Density
- 1.015 · 1.015±0.06 g/cm3(Predicted)
- pka
- 13.96 · 13.96±0.20(Predicted)
Safety & regulation
Hazard information
Other Safety InformationIMAP assessments - Benzenemethanol, .alpha.-[1-(methylamino)ethyl]-, (R*,S*)-(.+-.)-: Environment tier I assessment
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenemethanol, .alpha.-[(1R)-1-(methylamino)ethyl]-, (.alpha.S)-rel-: ACTIVE
Related reactions
9 records
Compound notes
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