Ethcathinone
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Basic information
- CAS
18259-37-5- Standard SMILES
CCNC(C)C(=O)c1ccccc1- InChIKey
LYMHIBZGTAPASQ-UHFFFAOYSA-N- Molecular formula
- C11H15NO
- Average molar mass
- 177.24 g/mol
- Monoisotopic mass
- 177.1153641
Overview
major metabolite of diethylpropion in man under acidic urine conditions
Names & identifiers
- Preferred name
- Ethcathinone
- IUPAC
- 2-(ethylamino)-1-phenylpropan-1-one
- English name
- Ethylaminopropiophenone HCl
- Molecular formula
- C11H15NO
- Molecular weight
- 177.24
Names & synonyms
Ethcathinone18259-37-5N-Ethylaminopropiophenone1-Phenyl-2-(ethylamino)-1-propanoneHV3BCK77BB1-Propanone, 2-(ethylamino)-1-phenyl-2-ethylamino-1-phenylpropan-1-oneJ2.659.123FUR-1424RefChem:921217ethylpropion2-(ethylamino)-1-phenylpropan-1-one
Show more names
Ethcathinone, ECEthylaminopropiophenone Hydrochloride
UNII-HV3BCK77BBUR 1424CHEMBL3298876ETH-CATEthylaminopropiophenone HClN-EthylcathinoneETHYLCATHINONE2-(Ethylamino)-1-phenyl-1-propanone
Database identifiers
- CAS
18259-37-5- PubChem CID
- 458519
- DTXSID
DTXSID70939595- ChEMBL
CHEMBL3298876- UNII
- HV3BCK77BB
- Nikkaji
- J2.659.123F
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 161
Experimental & physicochemical properties
DrugsDEA NFLIS-Drug Category -> Synthetic Cathinones
Collision Cross Section
139.2 Ų [M+H]+ [CCS Type: TW; Method: Major Mix IMS/Tof Calibration Kit (Waters)]
133.18 Ų [M+H-H2O]+
Physicochemical properties
- Boiling point
- 272.3 · 272.3±23.0 °C(Predicted)
- Density
- 0.986 · 0.986±0.06 g/cm3(Predicted)
- pka
- 7.14 · 7.14±0.19(Predicted)
- FDA UNII
- 3 BCK77BB · HV3BCK77BB
Related reactions
1 records
Compound notes
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