Monomethylpropion
Basic information
- CAS
5650-44-2- Standard SMILES
CNC(C)C(=O)c1ccccc1- InChIKey
LPLLVINFLBSFRP-UHFFFAOYSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Overview
2-methylamino-1-phenylpropan-1-one is an aromatic ketone that is propiophenone in which the hydrogen alpha- to the keto group has been replaced by a methylamino group. It is a secondary amino compound and an aromatic ketone.
Names & identifiers
- Preferred name
- Monomethylpropion
- IUPAC
- 2-(methylamino)-1-phenylpropan-1-one
- English name
- 2-(methylamino)propiophenone
- Molecular formula
- C10H13NO
- Molecular weight
- 163.22
Names & synonyms
Monomethylpropion2-(Methylamino)-1-phenyl-1-propanoneRefChem:811716MethcathinoneEphedrone5650-44-22-(Methylamino)-1-phenylpropan-1-onecosmos2-(Methylamino)propiophenone1-PROPANONE, 2-(METHYLAMINO)-1-PHENYL-alpha-Methylaminopropiophenonealpha-N-Methylaminopropiophenone
Show more names
LPLLVINFLBSFRP-UHFFFAOYSA-N2-Methylamino-1-phenylpropan-one2-methylamino-1-phenyl-propan-1-one2-(methylamino)propiophenone USP/EP/BP2-(Methylamino)-1-phenyl-1-Propanone HCl
(+/-)-Methcathinone2-Methylamino-1-phenylpropanone386QA522QG1-phenyl-2-methylamino-1-propanone2-methylamino-1-phenylpropan-1-oneJee cocktailR(+)-MethcathinoneMethylcathinone
Database identifiers
- CAS
5650-44-2- PubChem CID
- 1576
- DTXSID
DTXSID30863589- ChEMBL
CHEMBL4070364- ChEBI
CHEBI:149677- UNII
- 386QA522QG
- EC Number
- 227-092-7
- Nikkaji
- J31.084K
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 150
Experimental & physicochemical properties
Drugs
DEA NFLIS-Drug Category -> Synthetic Cathinones
DEA Schedule I Controlled Substance -> Stimulants
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
Human DrugsPharmaceuticals
Collision Cross Section128.31 Ų [M+H-H2O]+
Physicochemical properties
- Melting point
- 182 · 182-184 °C
- Boiling point
- 254.8 · 254.8±23.0 °C(Predicted)
- Density
- 1 · 1.000±0.06 g/cm3(Predicted)
- pka
- 7.14 · 7.14±0.10(Predicted)
- FDA UNII
- 386 QA522QG · 386QA522QG
- EPA Substance Registry System
- 1 · 1-Propanone, 2-(methylamino)-1-phenyl- (5650-44-2)
- TSCA
- TSCA listed
- DEA Controlled Substances
- 1237 CSA · CSCN: 1237CSA SCH: Schedule INARC: No
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationDEA schedule I controlled substance
Safety data
- tsca
- TSCA listed
- DEA Controlled Substances
- CSCN: 1237CSA SCH: Schedule INARC: No
Chemistry & industry
Uses & manufacturing
Use ClassificationPharmaceuticals
General Manufacturing Information1-Propanone, 2-(methylamino)-1-phenyl-: INACTIVE
Additional notes
DefinitionChEBI: 2-methylamino-1-phenylpropan-1-one is an aromatic ketone that is propiophenone in which the hydrogen alpha- to the keto group has been replaced by a methylamino group. It is an aromatic ketone and a secondary amino compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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