(2R)-1-phenylpropan-2-amine

• ChemBase ID: 160584
• Molecular Formular: C9H13N
• Molecular Mass: 135.20622
• Monoisotopic Mass: 135.10479942
• SMILES: C([C@H](N)C)c1ccccc1
• Canonical SMILES: C[C@H](Cc1ccccc1)N
• InChI: InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m1/s1
• InChIKey: KWTSXDURSIMDCE-MRVPVSSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-1-phenylpropan-2-amine
• IUPAC Traditional name: (-)-amphetamine
• Synonyms: (αR)-α-Methyl-benzeneethanamine Hydrochloride; (-)-(R)-Amphetamine Hydrochloride; (-)-Amphetamine Hydrochloride; (-)-Phenaminum Hydrochloride; Levamfetamine Hydrochloride; l-(-)-Amphetamine Hydrochloride; l-α-Methylphenethylamine Hydrochloride; l-Amphetamine Hydrochloride; (R)-Amphetamine Hydrochloride

Database IDs

• CAS Number: 41820-21-7
• PubChem SID: 162254719
• PubChem CID: 32893

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: 17.364613 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: White Solid
• Melting Point: 152-154°C

Safety Information

• Storage Condition: Hygroscopic, -20°C Freezer, Under Inert Atmosphere

DETAILS

Toronto Research Chemicals - A634240

CNS stimulant; anorexic.Controlled substance (stimulant).

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)