Basic information
- CAS
2276-89-3- Standard SMILES
CCN(CC)CCOC(=O)C(O)(c1ccc(OC)cc1)c1ccc(OC)cc1.Cl- InChIKey
YANZREKXCRAKRB-UHFFFAOYSA-N- Molecular formula
- C22H30ClNO5
- Average molar mass
- 423.9 g/mol
- Monoisotopic mass
- 423.1812508
Names & identifiers
- Preferred name
- Benzilic acid, 4,4'-dimethoxy-, 2-(diethylamino)ethyl ester, hydrochloride
- IUPAC
- 2-(diethylamino)ethyl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate;hydrochloride
Names & synonyms
2276-89-3Benzilic acid, 4,4'-dimethoxy-, 2-(diethylamino)ethyl ester, hydrochlorideKPE4YN6TW7NSC-1214624,4'-Dimethoxybenzilic acid 2-(diethylamino)ethyl ester hydrochlorideDi(4-methoxyphenyl)glycollic acid, 2-(diethylamino)ethyl ester hydrochlorideDTXSID40177306RefChem:1078771DTXCID9099797NSC 121462p-Anisilic acid 2-(diethylamino)ethyl ester hydrochloridep-Anisilic acid, hydrochloride
Show more names
NSC121462WLN: 2N2&2OVXQR DO1&R DO1 &GH4, 2-(diethylamino)ethyl ester, hydrochlorideDi(4-methoxyphenyl)glycollic acid, hydrochlorideBenzilic acid,4'-dimethoxy-, 2-(diethylamino)ethyl ester, hydrochloride2-(Diethylamino)ethyl hydroxybis(4-methoxyphenyl)acetate--hydrogen chloride (1/1)
Database identifiers
- CAS
2276-89-3- PubChem CID
- 75285
- DTXSID
DTXSID40177306- UNII
- KPE4YN6TW7
Properties
Computed structural properties
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 428
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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