methyl(1-phenylpropan-2-yl)amine

• ChemBase ID: 128303
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: N(C(Cc1ccccc1)C)C
• Canonical SMILES: CNC(Cc1ccccc1)C
• InChI: InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
• InChIKey: MYWUZJCMWCOHBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(1-phenylpropan-2-yl)amine
• IUPAC Traditional name: (+)-N,α-dimethylphenethylamine
• Synonyms: d-Deoxyephedrine solution; DL-1-Phenyl-2(methylamino)propane solution; DL-Methamphetamine solution; Desoxyephedrine; Methamfetamine; Pervitin; Anadrex; Methedrine; Methylamphetamine; Syndrox; Desoxyn; Methamphetamine; d-去氧麻黄碱 溶液; DL-1-苯基-2(甲氨基)丙烷 溶液; DL-甲基苯丙胺 溶液

Database IDs

• CAS Number: 537-46-2
• EC Number: 200-659-6
• MDL Number: MFCD00079115
• PubChem SID: 162222611
• PubChem CID: 1206
• CHEBI ID: 6809
• ATC CODE: N06BA03
• CHEMBL: 1201201
• Chemspider ID: 1169
• DrugBank ID: DB01577
• KEGG ID: D08187
• Unique Ingredient Identifier: 44RAL3456C
• Wikipedia Title: Methamphetamine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.9906569
• LogD (pH = 7.4): -0.43709657
• Log P: 2.236831
• Molar Refractivity: 48.4798 cm^3
• Polarizability: 19.21153 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 11 °C; 51.8 °F

Safety Information

• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: 1230
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-23/24/25-39/23/24/25
• Safety Statements: 7-16-36/37-45
• GHS Pictograms: GHS02; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H301-H311-H331-H370
• GHS Precautionary statements: P210-P260-P280-P301 + P310-P311
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1230 3/PG 2
• Drug Control: regulated under CDSA - not available from Sigma-Aldrich Canada
• Storage Temperature: -20°C

Pharmacology Properties

• Admin Routes: Medical: Ingestion; ; Recreational: Ingestion, Intravenous, Insufflation, Inhalation, Suppository
• Bioavailability: 62.7% oral; 79% nasal; 90.3% smoked; 99% rectally; 100% IV
• Excretion: Renal
• Half Life: 9–12 hours
• Metabolism: Hepatic
• Legal Status: Class A(NZ); Schedule 5(SA); Injectable: Class A, Oral: A(UK); S8 (Australia); Schedule I (Canada); Schedule II (US)
• Pregnancy Category: C (US)

Product Information

• Concentration: 1 mg/mL in methanol
• Grade: drug standard
• Empirical Formula (Hill Notation): C10H15N