1-phenyl(2H6)propan-2-amine hydrochloride

• ChemBase ID: 160587
• Molecular Formular: C9H14ClN
• Molecular Mass: 171.66716
• Monoisotopic Mass: 171.08147713
• SMILES: c1cccc(c1)CC(N)C.Cl
• Canonical SMILES: CC(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
• InChIKey: SEVKYLYIYIKRSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenyl(^2H₆)propan-2-amine hydrochloride
• IUPAC Traditional name: 1-phenyl(^2H₆)propan-2-amine hydrochloride
• Synonyms: β-Phenylisopropylamine-d6 Hydrochloride; rac Amphetamine-d6 Hydrochloride; α-Methylbenzeneethanamine-d6 Hydrochloride; α-(Methyl-d3)benzeneethan-α,α,β-d3-amine Hydrochloride; (+/-)-α-Methylphenethylamine-d6 Hydrochloride; 1-Phenyl-2-propylamine-d6 Hydrochloride; Psychedrine-d6; dl-Amphetamine-d6 Hydrochloride

Database IDs

• CAS Number: 205437-60-1
• PubChem SID: 162254722
• PubChem CID: 46780382

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: 17.448206 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: 142-144°C

Safety Information

• Storage Condition: Refrigerator, Under Inert Atmosphere

DETAILS

Toronto Research Chemicals - A634247

Labelled Amphetamine (A634248). CNS stimulant; anorexic.Controlled substance (stimulant).

REFERENCES

• Barr, A.M., et al.: Pharmacol. Biochem. Behav., 64, 597 (1999)
• Cartmell, J., et al.: J. Pharmacol. Exp. Ther., 291, 161 (1999)
• Bar-Oz, B., et al.: Paediatr. Drugs, 2, 113 (1999)