1-phenylpropan-2-amine hydrochloride

• ChemBase ID: 156459
• Molecular Formular: C9H14ClN
• Molecular Mass: 171.66716
• Monoisotopic Mass: 171.08147713
• SMILES: CC(Cc1ccccc1)N.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-phenylpropan-2-amine hydrochloride
• IUPAC Traditional name: adderall hydrochloride
• Synonyms: DL-Amphetamine hydrochloride solution; α-Methylbenzeneethanamine Hydrochloride; α-Methylbenzeneethan-α,α,β-amineHydrochloride; (+/-)-α-Methylphenethylamine Hydrochloride; 1-Phenyl-2-propylamine Hydrochloride; Amphetamine Hydrochloride; Psychedrine; dl-Amphetamine Hydrochloride; β-Phenylisopropylamine Hydrochloride; rac Amphetamine Hydrochloride; DL-Amphetamine hydrochloride; DL-安非他明 盐酸盐 溶液; DL-安非他明 盐酸盐

Database IDs

• CAS Number: 2706-50-5
• MDL Number: MFCD01708024
• PubChem SID: 162250597
• PubChem CID: 92939

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: Chloroform
• Apperance: White Solid
• Melting Point: 127-129°C
• Flash Point: 11 °C; 51.8 °F

Safety Information

• Storage Condition: Controlled Substance, -20°C Freezer, Under Inert Atmosphere
• RTECS: SH9798450
• European Hazard Symbols: Flammable (F); Toxic (T)
• German water hazard class: 2; 3
• Risk Statements: 11-23/24/25-39/23/24/25; 25
• Safety Statements: 16-36/37-45; 45
• GHS Pictograms: GHS02; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H301-H311-H331-H370; H300
• GHS Precautionary statements: P210-P260-P280-P301 + P310-P311; P264-P301 + P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• Drug Control: USDEA Schedule II; Home Office Schedule 2; regulated under CDSA - not available from Sigma-Aldrich Canada
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.5% (HPLC)
• Concentration: ~1 mg/mL in methanol
• Grade: analytical standard, for drug analysis
• Impurities: ~1.2 mL solution
• Shelf Life: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C9H13N · HCl

DETAILS

Sigma Aldrich - 50772

Packaging
ampoule contains 1.2mL solution

Toronto Research Chemicals - 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)