Basic information
- Standard SMILES
CC(C(O)c1ccccc1)N(C)C- InChIKey
FMCGSUUBYTWNDP-UHFFFAOYSA-N- Molecular formula
- C11H17NO
- Average molar mass
- 179.26 g/mol
- Monoisotopic mass
- 179.13101416
Overview
Methylephedrine is a member of amphetamines.
Names & identifiers
- Preferred name
- N-Methylephedrine
- IUPAC
- 2-(dimethylamino)-1-phenylpropan-1-ol
- English name
- L-N-METHYLEPHEDRINE HYDROCHLORIDE, 99
- Molecular formula
- C11H17NO
- Molecular weight
- 179.26
Names & synonyms
N-MethylephedrineRefChem:830711Methylephedrin17605-71-91-Phenyl-2-dimethylaminopropanol2-(Dimethylamino)-1-phenyl-1-propanol(1R,2S)-(-)-N-MethylephedrineMethylephedrin [German](1S,2S)-2-(dimethylamino)-1-phenylpropan-1-ol1201-56-5n-methyl-ephedrine(1Rs,2Rs)-2-dimethylamino-1-phenylpropan-1-ol
Show more names
2-(dimethylamino)-1-phenylpropan-1-olα-[1-(Dimethylamino)ethyl]benzenemethanolalpha-(1-(dimethylamino)ethyl)-benzylalcohoBenzenemethanol, α-[1-(dimethylamino)ethyl]-(-)-alpha-(1-Dimethylaminoethyl)benzyl alcohol
N,N-DimethylnorephedrineL-N-METHYLEPHEDRINE HYDROCHLORIDE, 99SCHEMBL99674SCHEMBL5366753SCHEMBL5366759BENZYL ALCOHOL, alpha-(1-(DIMETHYLAMINO)ETHYL)-CHEMBL4792285CHEBI:90046
Database identifiers
- CAS
1201-56-5、17605-71-9、552-79-4- PubChem CID
- 4374
- DTXSID
DTXSID70859481- ChEMBL
CHEMBL4792285- ChEBI
CHEBI:90046- EC Number
- 209-022-7、214-859-6
- Nikkaji
- J28.539K
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 141
Experimental & physicochemical properties
DrugsPharmaceuticals -> Used in Switzerland
Melting Point87.5 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 192 · 192-194°C
- Boiling point
- 311.8 °C · 311.8°C (rough estimate)
- Density
- 1.002 · 1.0020 (rough estimate)
- refractive index
- 1.532 · 1.5320 (estimate)
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- HS Code
- 29394900 · 29394900
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
List I Chemical: A chemical specified by regulation that, in addition to legitimate uses, is used in manufacturing a controlled substance in violation of the Act and is important to the manufacture of a controlled substance. (21 eCFR 1310.02)
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 29394900
- risk_code
- 36/37/38
- safety_code
- 26-36
Chemistry & industry
Uses & manufacturing
DEA Listed Chemicals
N-Methylephedrine, its salts, optical isomers, and salts of optical isomers (N-Methylephedrine)
A chemical specified by regulation that, in addition to legitimate uses, is used in manufacturing a controlled substance in violation of the Act and is important to the manufacture of a controlled substance. (21 eCFR 1310.02)
Additional notes
DefinitionChEBI: Methylephedrine is a member of amphetamines.
Related reactions
7 records
Linked notes
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