N-[2-(diethylamino)ethyl]-2-(4-methoxyphenoxy)acetamide hydrochloride

• ChemBase ID: 104288
• Molecular Formular: C15H25ClN2O3
• Molecular Mass: 316.8236
• Monoisotopic Mass: 316.15537035
• SMILES: Cl.CCN(CC)CCNC(=O)COc1ccc(OC)cc1
• Canonical SMILES: CCN(CCNC(=O)COc1ccc(cc1)OC)CC.Cl
• InChI: InChI=1S/C15H24N2O3.ClH/c1-4-17(5-2)11-10-16-15(18)12-20-14-8-6-13(19-3)7-9-14;/h6-9H,4-5,10-12H2,1-3H3,(H,16,18);1H
• InChIKey: AXBHPHPHZHAOAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(diethylamino)ethyl]-2-(4-methoxyphenoxy)acetamide hydrochloride
• IUPAC Traditional name: mefexamide hydrochloride
• Synonyms: p-Methoxyphenoxyacetic acid 2-(diethylamino)ethylamide; Mefexamide hydrochloride; p-Methoxyphenoxyacetic acid 2-[diethylamino]ethylamide; MEFEXAMIDE; 对-甲氧基苯氧基乙酸 2-(二乙胺基)乙酰胺; 美非沙胺 盐酸盐

Database IDs

• CAS Number: 1227-61-8
• EC Number: 214-963-1
• MDL Number: MFCD00079457
• PubChem SID: 162092464; 24897251
• PubChem CID: 3083802

CALCULATED PROPERTIES

• Acid pKa: 15.17341
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.9367564
• LogD (pH = 7.4): -0.36362636
• Log P: 1.2848805
• Molar Refractivity: 79.3042 cm^3
• Polarizability: 30.9885 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: AB7175000
• European Hazard Symbols: Highly toxic (T+)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 1
• Risk Statements: 26/27/28
• Safety Statements: 22-36/37/39-45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H310-H330
• GHS Precautionary statements: P260-P264-P280-P284-P302 + P350-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 1

Product Information

• Grade: analytical standard, for drug analysis
• Empirical Formula (Hill Notation): C15H24N2O3 · HCl

DETAILS

MP Biomedicals - 02155342

(p-Methoxyphenoxyacetic acid 2-[diethylamino]ethylamide) Hydrochloride