benzyl(methyl)[(2S)-1-phenylpropan-2-yl]amine hydrochloride

• ChemBase ID: 132222
• Molecular Formular: C17H22ClN
• Molecular Mass: 275.81628
• Monoisotopic Mass: 275.14407739
• SMILES: C[C@@H](Cc1ccccc1)N(C)Cc1ccccc1.Cl
• Canonical SMILES: CN([C@H](Cc1ccccc1)C)Cc1ccccc1.Cl
• InChI: InChI=1S/C17H21N.ClH/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17;/h3-12,15H,13-14H2,1-2H3;1H/t15-;/m0./s1
• InChIKey: ANFSNXAXVLRZCG-RSAXXLAASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(methyl)[(2S)-1-phenylpropan-2-yl]amine hydrochloride
• IUPAC Traditional name: benzphetamine hydrochloride
• Synonyms: (αS)-N,α-Dimethyl-N-(phenylmethyl)benzeneethanamine Hydrochloride; (+)-N-Benzyl-N,α-dimethylphenethylamine Hydrochloride; (+)-Benzphetamine Hydrochloride; Benzphetamine Hydrochloride; Didrex; Inapetyl; NSC 10937; U-0441; d-Benzphetamine Hydrochloride; (S)-Benzphetamine Hydrochloride; N-Benzyl-N,α-dimethylphenethylamine hydrochloride; Benzphetamine hydrochloride; 苄非他明 盐酸盐

Database IDs

• CAS Number: 5411-22-3
• EC Number: 226-489-2
• MDL Number: MFCD00058090
• PubChem SID: 24892064; 162226499
• PubChem CID: 11558159

CALCULATED PROPERTIES

• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.90645355
• LogD (pH = 7.4): 1.9718962
• Log P: 4.344352
• Molar Refractivity: 78.3871 cm^3
• Polarizability: 30.702745 Å^3
• Polar Surface Area: 3.24 Å^2

PROPERTIES

Safety Information

• RTECS: SG9625000
• 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: H301-H311-H331-H361
• GHS Precautionary statements: P261-P280-P301 + P310-P311
• 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 III; Home Office Schedule 3; stupéfiant; kontrollierte Droge in Deutschland; regulated under CDSA - not available from Sigma-Aldrich Canada

DETAILS

Sigma Aldrich - B8263

Biochem/physiol Actions
Adrenergic receptor agonist; CNS stimulant.

Toronto Research Chemicals - B209875

The S-enantiomer of Benzphetamine (B209880). Controlled substance (stimulant). Anorexic.

REFERENCES

• Stewart, J.T., et al.: J. Pharma. Sci., 60, 461 (1971)