Propylcathinone hydrochloride
Basic information
- CAS
879667-46-6- Standard SMILES
CCCNC(C)C(=O)c1ccccc1.Cl- InChIKey
CQUMWMSALZGNAF-UHFFFAOYSA-N- Molecular formula
- C12H18ClNO
- Average molar mass
- 227.73 g/mol
- Monoisotopic mass
- 227.1076919
Names & identifiers
- Preferred name
- Propylcathinone hydrochloride
- IUPAC
- 1-phenyl-2-(propylamino)propan-1-one;hydrochloride
- English name
- CQUMWMSALZGNAF-UHFFFAOYSA-N
- Molecular formula
- C12H18ClNO
- Molecular weight
- 227.73042
Names & synonyms
879667-46-6ZQ7XBT3XEBPropylcathinone hydrochlorideRefChem:1097048Propylcathinone (hydrochloride)2-(PROPYLAMINO)PROPIOPHENONE HYDROCHLORIDE1-Phenyl-2-(propylamino)-1-propanone, monohydrochloride1-phenyl-2-(propylamino)propan-1-one hydrochloride1-phenyl-2-(propylamino)propan-1-one;hydrochloriden-Propylcathinone hydrochloride1-Propanone, 1-phenyl-2-(propylamino)-, hydrochloride (1:1)63887-48-9
Show more names
CQUMWMSALZGNAF-UHFFFAOYSA-N
a-Propylaminopropiophenone hydrochloride; N-Propylcathinone hydrochloride; 1-phenyl-2-(propylamino)-1-propanone, monohydrochlorideUNII-ZQ7XBT3XEBDTXSID90980802NSC159586HY-W701990NSC-159586alpha-Propylaminopropiophenone hydrochloridePropiophenone, alpha-propylamino-, hydrochloride
Database identifiers
- CAS
879667-46-6- PubChem CID
- 458520
- DTXSID
DTXSID90980802- UNII
- ZQ7XBT3XEB
Properties
Computed structural properties
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- solubility
- 20 mg/ml; · DMF: 20 mg/ml; DMSO: 30 mg/ml; Ethanol: 30 mg/ml; PBS (pH 7.2): 10 mg/ml
- form
- A crystalline solid
- FDA UNII
- 7 XBT3XEB · ZQ7XBT3XEB
Chemistry & industry
Applications
UsesUsed in the preparation of optically active α-aminopropiophenones.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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