Pentedrone hydrochloride
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Basic information
- CAS
879669-95-1- Standard SMILES
CCCC(NC)C(=O)c1ccccc1.Cl- InChIKey
MACVVBRQAPNUKT-UHFFFAOYSA-N- Molecular formula
- C12H18ClNO
- Average molar mass
- 227.73 g/mol
- Monoisotopic mass
- 227.1076919
Names & identifiers
- Preferred name
- Pentedrone hydrochloride
- IUPAC
- 2-(methylamino)-1-phenylpentan-1-one;hydrochloride
- English name
- 2-(MethylaMino)-1-phenylpentan-1-one hydrochloride
- Molecular formula
- C12H18ClNO
- Molecular weight
- 227.73042
Names & synonyms
Pentedrone hydrochloride879669-95-1UNII-3O7WP2IF5N3O7WP2IF5N1-Phenyl-2-(methylamino)pentan-1-one, hydrochloride1-PENTANONE, 2-(METHYLAMINO)-1-PHENYL-, HYDROCHLORIDE (1:1)RefChem:202548Pentedrone (hydrochloride)2-(MethylaMino)-1-phenylpentan-1-one hydrochloridePentedrone.HCla-Methylaminovalerophenone Hydrochloridealpha-Methylaminovalerophenone Hydrochloride
Show more names
PentedronePENDETRONEPentedrone Crystalα-MethylaMino-valerophenonePentedrone (hydrochloride) (CRM)2-(MethylaMino)-1-phenylpentan-1-one(1-phenyl-2-MethylaMino-pentan-1-one)α-MethylaMinovalerophenone Hydrochloride
Pentedrone Hydrochloride (1.0 mg/mL in Methanol)Pentedrone HClAlpha-Methylaminovalerophenone Hydrochloride (1.0mg/ml in Acetonitrile)beta-Ethylmethcathinone Hydrochloride; Pentedrone Hydrochloride; a-Methylaminovalerophenone Hydrochloride2-(Methylamino)-1-phenyl-1-pentanone Hydrochloride2-(methylamino)-1-phenylpentan-1-one;hydrochlorideSCHEMBL22614751DTXSID901355918
Database identifiers
- CAS
879669-95-1- PubChem CID
- 71750191
- DTXSID
DTXSID901355918- UNII
- 3O7WP2IF5N
Properties
Computed structural propertiesFilling in
- 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
- Melting point
- 183.5 · 183.5-184.5℃
- solubility
- 15 mg/ml; · DMF: 15 mg/ml; DMSO: 15 mg/ml; Ethanol: 20 mg/ml; PBS (pH 7.2): 10 mg/ml
- form
- A neat solid
- FDA UNII
- 3 O7WP2IF5N · 3O7WP2IF5N
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Usesα-Methylaminovalerophenone is a synthetic homolog of Ephedrine (E575000).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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