Basic information
- CAS
66041-75-6- Standard SMILES
CC[NH+](CC)CCOC(=O)c1oc2ccccc2c1C.[Cl-]- InChIKey
MHXHSYZVHGCRQT-UHFFFAOYSA-N- Molecular formula
- C16H22ClNO3
- Average molar mass
- 311.8 g/mol
- Monoisotopic mass
- 311.1288213
Names & identifiers
- Preferred name
- 2-(Diethylamino)ethyl 3-methyl-1-benzofuran-2-carboxylate--hydrogen chloride (1/1)
- IUPAC
- diethyl-[2-(3-methyl-1-benzofuran-2-carbonyl)oxyethyl]azanium chloride
Names & synonyms
66041-75-6DTXSID109845092-(Diethylamino)ethyl 3-methyl-1-benzofuran-2-carboxylate--hydrogen chloride (1/1)RefChem:1061674DTXCID1014117243-Methyl-2-benzofurancarboxylic acid 2-(diethylamino)ethyl ester hydrochloride2-Benzofurancarboxylic acid, 3-methyl-, 2-(diethylamino)ethyl ester, hydrochloride
Database identifiers
- CAS
66041-75-6- PubChem CID
- 47808
Properties
Computed structural properties
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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