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

• ChemBase ID: 130668
• Molecular Formular: C10H14ClNO
• Molecular Mass: 199.67726
• Monoisotopic Mass: 199.07639175
• SMILES: CC(C(=O)c1ccccc1)NC.Cl
• Canonical SMILES: CNC(C(=O)c1ccccc1)C.Cl
• InChI: InChI=1S/C10H13NO.ClH/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,11H,1-2H3;1H
• InChIKey: LTJXNCHDKYZOSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylamino)-1-phenylpropan-1-one hydrochloride
• IUPAC Traditional name: methcathinone hydrochloride
• Synonyms: 2-(Methylamino)propiophenone hydrochloride solution; 1-Propanone, 2-(methylamino)-1-phenyl-, hydrochloride; Methcathinone hydrochloride; dl-Ephedrone hydrochloride; 2-(Methylamino)propiophenone hydrochloride; 2-(Methylamino)-1-phenyl-1-propanone Hydrochloride; (+/-)-Methcathinone Hydrochloride; Ephedrone Hydrochloride; Monomethylpropion Hydrochloride; UR 1431 Hydrochloride; Methcathinone Hydrochloride; 2-(甲氨基)苯丙酮 盐酸盐 溶液; 2-(甲氨基)苯丙酮 盐酸盐

Database IDs

• CAS Number: 49656-78-2
• EC Number: 200-659-6
• MDL Number: MFCD00012380
• PubChem SID: 24897272; 24896972; 162224946
• PubChem CID: 458517

CALCULATED PROPERTIES

• Acid pKa: 18.516659
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8403567
• LogD (pH = 7.4): 0.8932843
• Log P: 1.6081082
• Molar Refractivity: 49.089 cm^3
• Polarizability: 19.285154 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol
• Apperance: Off-White Solid
• Melting Point: 179-184°C
• Flash Point: 11 °C; 51.8 °F

Safety Information

• Storage Condition: Controlled Substance, -20°C Freezer
• European Hazard Symbols: Flammable (F); Toxic (T); Irritant (Xi)
• UN Number: 1230
• German water hazard class: 1; 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-23/24/25-39/23/24/25; 36/37/38
• Safety Statements: 26-36; 7-16-36/37-45
• GHS Pictograms: GHS02; GHS06; GHS07; GHS08
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H225-H301-H311-H331-H370; H315-H319-H335
• GHS Precautionary statements: P210-P260-P280-P301 + P310-P311; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1230 3/PG 2
• Drug Control: Home Office Schedule 1; stupéfiant; kontrollierte Droge in Deutschland; USDEA Schedule I; Home Office Schedule 1; stupéfiant; kontrollierte Droge in Deutschland; regulated under CDSA - not available from Sigma-Aldrich Canada
• Storage Temperature: 2-8°C

Product Information

• Concentration: 1.0 mg/mL±5% in methanol
• Grade: drug standard

DETAILS

Sigma Aldrich - M5037

Biochem/physiol Actions
Potent amphetamine-like stimulant; dimethylpropion metabolite.
Other Notes
Mixture of optical isomers.

Sigma Aldrich - M8536

Other Notes
光学异构体混合物

Toronto Research Chemicals - M225925

Controlled substance (stimulant).

REFERENCES

• Markantonis, S.L., et al.: J. Pharm. Pharmacol., 38, 515 (1986)
• Zhingel, K.Y., et al.: J. Forensic Sci., 36, 915 (1986)