methyl[(2R)-1-phenylpropan-2-yl]amine

• ChemBase ID: 130758
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: C[C@H](Cc1ccccc1)NC
• Canonical SMILES: CN[C@@H](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/t9-/m1/s1
• InChIKey: MYWUZJCMWCOHBA-SECBINFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(2R)-1-phenylpropan-2-yl]amine
• IUPAC Traditional name: (-)-methamphetamine
• Synonyms: (-)-Deoxyephedrine; (-)-1-苯基-2-甲氨基丙烷; (-)-甲基苯丙胺; (-)-去氧麻黄碱

Database IDs

• CAS Number: 33817-09-3
• EC Number: 251-687-0
• MDL Number: MFCD00135973
• PubChem SID: 24894050; 162225036
• PubChem CID: 36604

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

Safety Information

• RTECS: SH4905000
• European Hazard Symbols: Toxic (T)
• UN Number: 2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 63-23/24/25-36
• Safety Statements: 26-36/37-45
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H319-H331-H361
• GHS Precautionary statements: P261-P280-P301 + P310-P305 + P351 + P338-P311
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 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 - D6787

Other Notes
甲基苯丙胺的低活性异构体