(2H3)methyl[1-phenyl(2H6)propan-2-yl]amine

• ChemBase ID: 156413
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: CC(Cc1ccccc1)NC
• 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: (^2H₃)methyl[1-phenyl(^2H₆)propan-2-yl]amine
• IUPAC Traditional name: (^2H₃)methyl[1-phenyl(^2H₆)propan-2-yl]amine
• Synonyms: DL-Methamphetamine-d9 solution; DL-甲基苯丙胺-d9 溶液

Database IDs

• MDL Number: MFCD01075374
• PubChem SID: 162250551
• PubChem CID: 71312312

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: 19.295061 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; 52 °F
• Mass Shift: M+9

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 1230
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 23/24/25-39/23/24/25
• Safety Statements: 36/37-45
• RID/ADR: UN 1230 3/PG 2
• Drug Control: regulated under CDSA - not available from Sigma-Aldrich Canada
• Storage Temperature: -20°C

Product Information

• Concentration: 100 μg/mL in methanol
• Grade: drug standard
• Isotopic Purity: 98 atom % D
• Empirical Formula (Hill Notation): C10D9H6N