Basic information
- CAS
63446-01-5- Standard SMILES
CC[NH+](CC)CCOC(=O)c1oc2c(OC)c(OC)c(OC)cc2c1C.[Cl-]- InChIKey
FNCRUYQMZCCBRB-UHFFFAOYSA-N- Molecular formula
- C19H28ClNO6
- Average molar mass
- 401.9 g/mol
- Monoisotopic mass
- 401.1605153
Names & identifiers
- Preferred name
- 2-(Diethylamino)ethyl 5,6,7-trimethoxy-3-methyl-1-benzofuran-2-carboxylate--hydrogen chloride (1/1)
- IUPAC
- diethyl-[2-(5,6,7-trimethoxy-3-methyl-1-benzofuran-2-carbonyl)oxyethyl]azanium chloride
Names & synonyms
63446-01-5DTXSID609796422-(Diethylamino)ethyl 5,6,7-trimethoxy-3-methyl-1-benzofuran-2-carboxylate--hydrogen chloride (1/1)RefChem:1061686DTXCID701406933(2-Diethylamino)ethyl 3-methyl-5,6,7-trimethoxy-2-benzofurancarboxylate hydrochloride2-Benzofurancarboxylic acid, 3-methyl-5,6,7-trimethoxy-, (2-diethylamino)ethyl ester, hydrochloride
Database identifiers
- CAS
63446-01-5- PubChem CID
- 44499
Properties
Computed structural properties
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 444
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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