Basic information
- CAS
642-58-0- Standard SMILES
CCN(CC)CCOC(c1ccccc1)c1ccccc1- InChIKey
YJBNEIXMFLQJPC-UHFFFAOYSA-N- Molecular formula
- C19H25NO
- Average molar mass
- 283.4 g/mol
- Monoisotopic mass
- 283.19361442
Names & identifiers
- Preferred name
- Ethylbenzhydramine
- IUPAC
- 2-benzhydryloxy-N,N-diethylethanamine
- English name
- Ethylbenzhydramine
- Molecular formula
- C19H25NO
- Molecular weight
- 283.41
Names & synonyms
Ethylbenzhydramine642-58-0Triethylamine, 2-(diphenylmethoxy)-AH 966Ethanamine, 2-(diphenylmethoxy)-N,N-diethyl-UNII-B90W89D34H2-(DIPHENYLMETHOXY)-N,N-DIETHYLETHANAMINEBRN 1885294N,N-Diethyl-2-(diphenylmethoxy)ethylamineB90W89D34HETHYLBENZHYDRAMINE [MI]ETHYLBENZHYDRAMINE [WHO-DD]
Show more names
Ethylbenzhydramine USP/EP/BP2-(Benzhydryloxy)triethylamine2-[di(phenyl)methoxy]ethyl-diethyl-amine
4-06-00-04660 (Beilstein Handbook Reference)ETHYLAMINE, N,N-DIETHYL-2-(DIPHENYLMETHOXY)-2-(BENZHYDRYLOXY)-N,N-DIETHYLETHYLAMINERefChem:139102YJBNEIXMFLQJPC-UHFFFAOYSA-N2-benzhydryloxy-N,N-diethylethanamineOprea1_419041CBDivE_003181
Database identifiers
- CAS
642-58-0- PubChem CID
- 12552
- DTXSID
DTXSID90982745- ChEMBL
CHEMBL2097125- UNII
- B90W89D34H
- Nikkaji
- J7.059I
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Boiling point
- 0.15 · bp0.15 140-142°
- Density
- 1.004 · 1.004±0.06 g/cm3(Predicted)
- pka
- 9.68 · 9.68±0.25(Predicted)
- FDA UNII
- 90 W89D34H · B90W89D34H
Chemistry & industry
Suppliers2 total
Alfa Chemistry+1-5166625404 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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