1-(2,5-dimethoxyphenyl)propan-2-amine hydrochloride

• ChemBase ID: 130544
• Molecular Formular: C11H18ClNO2
• Molecular Mass: 231.71912
• Monoisotopic Mass: 231.1026065
• SMILES: CC(Cc1cc(ccc1OC)OC)N.Cl
• Canonical SMILES: COc1ccc(c(c1)CC(N)C)OC.Cl
• InChI: InChI=1S/C11H17NO2.ClH/c1-8(12)6-9-7-10(13-2)4-5-11(9)14-3;/h4-5,7-8H,6,12H2,1-3H3;1H
• InChIKey: OLBMBFHNGDUGST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,5-dimethoxyphenyl)propan-2-amine hydrochloride
• IUPAC Traditional name: 2,5-dimethoxyamphetamine hydrochloride
• Synonyms: DMA; (±)-1-(2,5-Dimethoxyphenyl)-2-aminopropane hydrochloride; (±)-1-(2,5-二甲氧基苯基)-2-氨基丙烷 盐酸盐

Database IDs

• CAS Number: 2801-68-5
• EC Number: 220-540-2
• MDL Number: MFCD00069253
• PubChem SID: 162224822; 24893362
• PubChem CID: 62786

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5264212
• LogD (pH = 7.4): -0.90963775
• Log P: 1.4889079
• Molar Refractivity: 56.6316 cm^3
• Polarizability: 22.335976 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 23/24/25
• Safety Statements: 36/37/39-45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H330
• GHS Precautionary statements: P260-P280-P284-P301 + P310-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 I; Home Office Schedule 1; stupéfiant; kontrollierte Droge in Deutschland; regulated under CDSA - not available from Sigma-Aldrich Canada

Pharmacology Properties

• Gene Information: human ... SLC9A1(6548)rat ... Slc9a1(24782), Slc9a2(24783), Slc9a3(24784)