Basic information
- CAS
53499-40-4- Standard SMILES
C[NH2+]CCOC(c1ccccc1)c1ccccc1.[Cl-]- InChIKey
OARUOQLHKTZEIM-UHFFFAOYSA-N- Molecular formula
- C16H20ClNO
- Average molar mass
- 277.79 g/mol
- Monoisotopic mass
- 277.123342
Overview
See also: 2-(Benzhydryloxy)-N-methylethanamine hydrochloride (preferred).
Names & identifiers
- Preferred name
- beta-Methylaminoethyl benzhydryl ether hydrochloride
- IUPAC
- 2-benzhydryloxyethyl(methyl)azanium chloride
- English name
- N-DesMethyl DiphenhydraMine Hydrochloride
- Molecular formula
- C16H20ClNO
- Molecular weight
- 277.7891
Names & synonyms
beta-Methylaminoethyl benzhydryl ether hydrochloride2-benzhydryloxyethyl(methyl)azanium;chlorideETHYLAMINE, 2-(DIPHENYLMETHOXY)-N-METHYL-, HYDROCHLORIDEDiphenhydraMine Related CoMpound ADIPHENHYDRAMINE EP IMP ADiphenhydramine Rel Cpd ADiphenhydramine Impurity 1DiphenhydraMine IMpurity A HClDiphendydraMineRelatedCoMpoundADimenhydrinate EP Impurity F HClDiphenhydramine EP Impurity A HCl2-(Diphenylmethoxy)-N-methylethanam
Show more names
2-(Benzhydryloxy)-n-MethylethanaMine hcl
Database identifiers
- CAS
53499-40-4- PubChem CID
- 40790
Properties
Computed structural properties
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Melting point
- 159 · 159-160 °C
- storage temp.
- Refrigerator, Under Inert Atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Pale Beige
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C16H19NO.ClH/c1-17-12-13-18-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15;/h2-11,16-17H,12-13H2,1H3;1H
- InChIKey
- OARUOQLHKTZEIM-UHFFFAOYSA-N
- SMILES
- [Cl-].[N+H2](CCOC(c2ccccc2)c1ccccc1)C
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- WGK Germany
- 3 · 3
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
- wgk
- 3
- hs_code
- 2922199695
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
UsesThese Secondary Standards are qualified as Certified Reference Materials. These are suitable for use in several analytical applications including but not limited to pharma release testing, pharma method development for qualitative and quantitative analyses, food and beverage quality control testing, and other calibration requirements.
Suppliers70 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
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]
上海康恩博科技有限公司（科小研试剂）400-1388-521 17673770086 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
Aladdin Scientific[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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