Basic information
- CAS
4024-34-4- Standard SMILES
Cc1ccc(C(OCC[NH+](C)C)c2ccccc2)cc1.[Cl-]- InChIKey
BNFDLGUZDIWYJK-UHFFFAOYSA-N- Molecular formula
- C18H24ClNO
- Average molar mass
- 305.8 g/mol
- Monoisotopic mass
- 305.1546421
Overview
See also: Neobenodine (preferred).
Names & identifiers
- Preferred name
- N,N-Dimethyl-2-(alpha-(p-tolyl)benzyloxy)ethylamine hydrochloride
- IUPAC
- dimethyl-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]azanium chloride
- English name
- 2-[(p-methyl-alpha-phenylbenzyl)oxy]ethyl(dimethyl)ammonium chloride
- Molecular formula
- C18H24ClNO
- Molecular weight
- 305.84226
Names & synonyms
Toladryl hydrochlorideUNII-8H4DV0TDRYEINECS 223-691-2N,N-Dimethyl-2-(alpha-(p-tolyl)benzyloxy)ethylamine hydrochlorideN,N-Dimethyl-2-((p-methyl-alpha-phenylbenzyl)oxy)ethylamine hydrochlorideETHYLAMINE, N,N-DIMETHYL-2-(alpha-(p-TOLYL)BENZYLOXY)-, HYDROCHLORIDE2-((p-Methyl-alpha-phenylbenzyl)oxy)ethyl(dimethyl)ammonium chloride2-[(p-methyl-alpha-phenylbenzyl)oxy]ethyl(dimethyl)ammonium chlorideNS00083201NeobenodineDiphenhydramine EP ImpurityMethyldiphenhydramine
Show more names
OrphenadrineEPImpurityFHClDiphenhydramine Impurity B HClOrphenadrine EP Impurity B HClDiphenhydramin EP Impurity B HClDiphenhydramine EP Impurity B HCl2-[(RS)-(4-Methylphenyl)phenylmetho4-Methyldiphenhydramine Hydrochloride
Properties
Computed structural properties
- Topological polar surface area
- 13.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Melting point
- 150 · 150-152 °C(Solv: acetone (67-64-1))
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- FDA UNII
- 8 H4DV0TDRY · 8H4DV0TDRY
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 301 · P301+P312+P330
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P301+P312+P330
Chemistry & industry
Applications
Uses2-[(p-methyl-alpha-phenylbenzyl)oxy]ethyl(dimethyl)ammonium chloride is an impurity of Diphenhydramine (D486900), is an H1-histamine receptor antagonist. Diphenhydramine is categorized as an antihistaminic; sedative, hypnotic.
Suppliers43 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
山东艾莎科技有限公司15092135101 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…