(2S)-1-phenyl(3,3,3-2H3)propan-2-amine hydrochloride

• ChemBase ID: 160586
• Molecular Formular: C9H14ClN
• Molecular Mass: 171.66716
• Monoisotopic Mass: 171.08147713
• SMILES: C([C@@H](N)C)c1ccccc1.Cl
• Canonical SMILES: C[C@@H](Cc1ccccc1)N.Cl
• InChI: InChI=1S/C9H13N.ClH/c1-8(10)7-9-5-3-2-4-6-9;/h2-6,8H,7,10H2,1H3;1H/t8-;/m0./s1
• InChIKey: SEVKYLYIYIKRSW-QRPNPIFTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-1-phenyl(3,3,3-^2H₃)propan-2-amine hydrochloride
• IUPAC Traditional name: (2S)-1-phenyl(3,3,3-^2H₃)propan-2-amine hydrochloride
• Synonyms: (αS)-α-(Methyl-d3)benzeneethanamine Hydrochloride; (+)-(S)-Amphetamine-d3 Hydrochloride; (+)-Amphetamine-d3 Hydrochloride; (+)-Phenaminum-d3 Hydrochloride; Dextroamphetamine-d3 Hydrochloride; d-(S)-Amphetamine-d3 Hydrochloride; d-α-(Methyl-d3)phenethylamine Hydrochloride; d-Amphetamine-d3 Hydrochloride; (S)-Amphetamine-d3 Hydrochloride

Database IDs

• PubChem SID: 162254721
• PubChem CID: 71313387

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2147744
• LogD (pH = 7.4): -0.67093694
• Log P: 1.8042505
• Molar Refractivity: 43.7052 cm^3
• Polarizability: 17.3647 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol
• Apperance: Light Tan Solid
• Melting Point: 136-138°C

Safety Information

• Storage Condition: Controlled Substance, -20°C Freezer

DETAILS

Toronto Research Chemicals - A634246

Labelled (S)-Amphetamine. CNS stimulant; anorexic. More active isomer of Amphetamine. Induces release of catecholamines and serotonin by displacing the monoamines from their vesicular storage sites; blocks catecholamine reuptake.Controlled substance (stim

REFERENCES

• Warren, M.R., et al.: J. Pharmacol. Exp. Ther., 85, 119 (1945)
• Behrendt, W.A, et al.: Arzneim.-Forsch., 13, 711 (1945)
• Seiden, L.S., Annu. Rev. Pharmacol. Toxicol., 32, 639 (1945)