methyl(1-phenylpropan-2-yl)amine hydrochloride

• ChemBase ID: 153527
• Molecular Formular: C10H16ClN
• Molecular Mass: 185.69374
• Monoisotopic Mass: 185.0971272
• SMILES: CC(Cc1ccccc1)NC.Cl
• Canonical SMILES: CNC(Cc1ccccc1)C.Cl
• InChI: InChI=1S/C10H15N.ClH/c1-9(11-2)8-10-6-4-3-5-7-10;/h3-7,9,11H,8H2,1-2H3;1H
• InChIKey: TWXDDNPPQUTEOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(1-phenylpropan-2-yl)amine hydrochloride
• IUPAC Traditional name: (+)-N,α-dimethylphenethylamine hydrochloride
• Synonyms: N,α-Dimethylbenzeneethanamine Hydrochloride; 2-Methylamino-1-phenylpropane Hydrochloride; (+/-)-Methamphetamine Hydrochloride; NSC 169506; NSC 22367; Obesin; Obesine; dl-Desoxyephedrine Hydrochloride; dl-Methamphetamine Hydrochloride; rac Methamphetamine Hydrochloride; (±)-Methamphetamine; (±)-2-(Methylamino)-1-phenylpropane; (±)-Deoxyephedrine hydrochloride; (±)-1-苯基-2-甲氨基丙烷; (±)-甲基苯丙胺; (±)-去氧麻黄碱 盐酸盐

Database IDs

• CAS Number: 300-42-5
• EC Number: 206-093-6
• MDL Number: MFCD00069952
• PubChem SID: 162247666
• PubChem CID: 9306

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.9906569
• LogD (pH = 7.4): -0.43709657
• Log P: 2.236831
• Molar Refractivity: 48.4798 cm^3
• Polarizability: 19.21153 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: SH5075000
• European Hazard Symbols: Toxic (T)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 63-23/24/25
• Safety Statements: 22-36/37/39-45
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H311-H319-H330-H361
• GHS Precautionary statements: P260-P264-P280-P284-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3
• Drug Control: USDEA Schedule II; Home Office Schedule 2; stupéfiant; kontrollierte Droge in Deutschland; regulated under CDSA - not available from Sigma-Aldrich Canada

Product Information

• Empirical Formula (Hill Notation): C10H15N · HCl

DETAILS

Sigma Aldrich - D6912

Biochem/physiol Actions
Sympathomimetic; more potent central effects than amphetamine.

Toronto Research Chemicals - M258795

A CNS stimulant. Anorexic. In attention deficit disorder with hyperactivity. Controlled substance (stimulant).

REFERENCES

• Lands, M., et al.: J. Pharmacol. Exp. Ther., 89, 382 (1947)
• Repke, D.B., et al.: J. Pharm. Sci., 67, 1167 (1947)
• Pope, H.G., et al.: J. Clin. Psychiatry, 47, 339 (1947)
• Cho, A.K., et al.: Science, 249, 631 (1947)