Methedrone
Basic information
- CAS
530-54-1- Standard SMILES
CNC(C)C(=O)c1ccc(OC)cc1- InChIKey
MQUIHBQDYYAEMH-UHFFFAOYSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Overview
structure in first source
Names & identifiers
- Preferred name
- Methedrone
- IUPAC
- 1-(4-methoxyphenyl)-2-(methylamino)propan-1-one
- English name
- Methophedrinum
- Molecular formula
- C11H15NO2
- Molecular weight
- 193.24
Names & synonyms
MethoxyphedrineMethedrone530-54-14-MethoxymethcathinoneMethoxyphedrinummetoxifedrinaJ6.703BL7HY239I58DTXSID20862127RefChem:157094DTXCID70810936684-468-7
Show more names
1491 CBMethophedrinum4'-Methoxy-2-methylaminopropiophenone4'-Methoxy-α-(methylamino)propiophenone1-(4-Methoxyphenyl)-2-methylamino-1-propanone1-(4-methoxyphenyl)-2-methylamino-propan-1-one1-Propanone,1-(4-Methoxyphenyl)-2-(MethylaMino)-4-Methoxymethcathinone, Methedrone, βk-PMMA, 4-Methoxyephedrone, 4-MeoMC
1-(4-methoxyphenyl)-2-(methylamino)propan-1-one1-p-Methoxyphenyl-2-methylaminopropan-1-oneMethoxifedrinabeta-keto-PMMAbk-PMMAPMMCpara-MethoxymethcathinoneMethoxyphedrine [INN:DCF]
Database identifiers
- CAS
530-54-1- PubChem CID
- 216281
- DTXSID
DTXSID20862127- ChEMBL
CHEMBL2106893- UNII
- L7HY239I58
- EC Number
- 684-468-7
- Nikkaji
- J6.703B
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 186
Experimental & physicochemical properties
DrugsDEA NFLIS-Drug Category -> Synthetic Cathinones
Collision Cross Section
144.1 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated]
145.34 Ų [M+H]+
Physicochemical properties
- Boiling point
- 160 °C · 160 °C
- Density
- 1.032 · 1.032
- pka
- 7.48 · 7.48±0.10(Predicted)
- FDA UNII
- 7 HY239I58 · L7HY239I58
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, 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
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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