2-(dimethylamino)-1-phenylpropan-1-one hydrochloride

• ChemBase ID: 131708
• Molecular Formular: C11H16ClNO
• Molecular Mass: 213.70384
• Monoisotopic Mass: 213.09204182
• SMILES: CC(C(=O)c1ccccc1)N(C)C.Cl
• Canonical SMILES: CC(C(=O)c1ccccc1)N(C)C.Cl
• InChI: InChI=1S/C11H15NO.ClH/c1-9(12(2)3)11(13)10-7-5-4-6-8-10;/h4-9H,1-3H3;1H
• InChIKey: APOWZIQNQJSLKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-1-phenylpropan-1-one hydrochloride
• IUPAC Traditional name: metamfepramone hydrochloride
• Synonyms: Dimethcathinone hydrochloride; (±)-2-二甲基氨基-1-苯基-1-丙酮 盐酸盐; 甲胺苯丙酮 盐酸盐

Database IDs

• CAS Number: 15351-09-4
• EC Number: 239-384-1
• MDL Number: MFCD00467677
• PubChem SID: 162225985
• PubChem CID: 3084061

CALCULATED PROPERTIES

• Acid pKa: 17.467812
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.59249866
• LogD (pH = 7.4): 1.8755639
• Log P: 1.9911561
• Molar Refractivity: 54.3837 cm^3
• Polarizability: 21.131063 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble

Safety Information

• RTECS: UH0539900
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H332
• GHS Precautionary statements: P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Drug Control: USDEA Schedule I; Home Office Schedule 1; regulated under CDSA - not available from Sigma-Aldrich Canada

DETAILS

Sigma Aldrich - D199

Biochem/physiol Actions
类交感神经作用的中枢神经兴奋剂；效果类似安非他明。