Basic information
- CAS
71-79-4- Standard SMILES
CN(C)CCOC(=O)C(O)(c1ccccc1)c1ccccc1.Cl- InChIKey
IJKAOMCJQZGZPQ-UHFFFAOYSA-N- Molecular formula
- C18H22ClNO3
- Average molar mass
- 335.8 g/mol
- Monoisotopic mass
- 335.1288213
Names & identifiers
- Preferred name
- Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 2-(dimethylamino)ethyl ester, hydrochloride
- IUPAC
- 2-(dimethylamino)ethyl 2-hydroxy-2,2-diphenylacetate;hydrochloride
- English name
- 2-(Dimethylamino)ethyl benzilate hydrochloride
- Molecular formula
- C18H22ClNO3
- Molecular weight
- 335.83
Names & synonyms
Benzacin hydrochloride71-79-46DOZ1S899PDTXSID70221220Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 2-(dimethylamino)ethyl ester, hydrochlorideRefChem:1078350DTXCID70143711Benzacin2-(Dimethylamino)ethyl benzilate hydrochlorideDipheminDifeminBenzacine hydrochloride
Show more names
BenzacinebenzacinhydrochloridebenzacinehydrochlorideDimethylaminoethyldiphenyldimethylaminoethylbenzylatehydrochloride
HK-141Deanol benzilate hydrochlorideDimethylaminoethyl diphenylhydroxyacetate hydrochlorideNSC-163292-(dimethylamino)ethyl 2-hydroxy-2,2-diphenylacetate;hydrochlorideBenzacin HClEINECS 200-765-2NSC 16329
Database identifiers
- CAS
71-79-4- PubChem CID
- 101533
- DTXSID
DTXSID70221220
Properties
Computed structural properties
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Melting point
- 190 · 190-192 °C
- Density
- 1.1381 · 1.1381 (estimate)
- FDA UNII
- 6 DOZ1S899P · 6DOZ1S899P
- Hazard Codes
- Xn
- Risk Statements
- 36 · 36/37/38-22
- Safety Statements
- 37 · 37/39-26
- Toxicity
- 50 oral · LD50 oral in rat: 1035mg/kg
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
- Toxicity
- LD50 oral in rat: 1035mg/kg
- risk_code
- 36/37/38-22
- hazard_code
- Xn
- safety_code
- 37/39-26
Chemistry & industry
Suppliers5 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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