bis(1-phenylpropan-2-amine); sulfuric acid

• ChemBase ID: 131805
• Molecular Formular: C18H28N2O4S
• Molecular Mass: 368.49092
• Monoisotopic Mass: 368.17697839
• SMILES: CC(Cc1ccccc1)N.CC(Cc1ccccc1)N.OS(=O)(=O)O
• Canonical SMILES: OS(=O)(=O)O.CC(Cc1ccccc1)N.CC(Cc1ccccc1)N
• InChI: InChI=1S/2C9H13N.H2O4S/c2*1-8(10)7-9-5-3-2-4-6-9;1-5(2,3)4/h2*2-6,8H,7,10H2,1H3;(H2,1,2,3,4)
• InChIKey: PYHRZPFZZDCOPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(1-phenylpropan-2-amine); sulfuric acid
• IUPAC Traditional name: bis(adderall); sulfuric acid
• Synonyms: (±)-α-Methylphenethylamine sulfate salt; DL-Amphetamine sulfate salt; DL-安非他明 硫酸盐

Database IDs

• CAS Number: 60-13-9
• EC Number: 200-457-8
• MDL Number: MFCD00070254
• PubChem SID: 162226082
• PubChem CID: 6055

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: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: SI1750000
• European Hazard Symbols: Toxic (T)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 25
• Safety Statements: 45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301
• GHS Precautionary statements: P301 + P310
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3
• Drug Control: USDEA Schedule II; Home Office Schedule 2; stupéfiant; kontrollierte Droge in Deutschland; regulated under CDSA - not available from Sigma-Aldrich Canada

DETAILS

Sigma Aldrich - A1263

Biochem/physiol Actions
Induces release of catecholamines and serotonin by displacing the monoamines from their vesicular storage sites; blocks catecholamine reuptake.