62226

2-[(RS)-(4-Methylphenyl)phenylmethoxy]-N,N-dimethylethanamine hydrochloride

pharmaceutical impurity standard

• Synonym(s): Diphenhydramine impurity B (PhEur), 2-[(4-Methyl-α-phenylbenzyl)oxy]ethyl(dimethyl)ammonium chloride, 4-Methyldiphenhydramine hydrochloride, N,N-Dimethyl-2-[(4-methylphenyl)phenylmethoxy]ethanamin hydrochloride, Neobenodine
• Empirical Formula (Hill Notation): C₁₈H₂₃NO · HCl
• CAS Number: 4024-34-4
• Molecular Weight: 305.84
• Beilstein/REAXYS Number: 3743293
• EC Number: 223-691-2
• MDL number: MFCD00550569
• UNSPSC Code: 41116107
• PubChem Substance ID: 329759721
• NACRES: NA.24

Properties

• Quality Level: 100
• assay: ≥98.0% (HPLC)
• shelf life: limited shelf life, expiry date on the label
• impurities: ≤0.5% water
• application(s): forensics and toxicology; pharmaceutical (small molecule)
• format: neat
• SMILES string: CN(C)CCOC(C1=CC=C(C)C=C1)C2=CC=CC=C2.Cl
• InChI: 1S/C18H23NO.ClH/c1-15-9-11-17(12-10-15)18(20-14-13-19(2)3)16-7-5-4-6-8-16;/h4-12,18H,13-14H2,1-3H3;1H
• InChI key: BNFDLGUZDIWYJK-UHFFFAOYSA-N

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302
• pcodes: P301 + P312 + P330
• Hazard Classifications: Acute Tox. 4 Oral
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 1
• flash_point_f: Not applicable
• flash_point_c: Not applicable