Coumarin, 6-(3-diethylamino-2-hydroxypropoxy)-7,8-dimethoxy-4-methyl-, hydrochloride
Basic information
- CAS
63446-06-0- Standard SMILES
CC[NH+](CC)CC(O)COc1cc2c(C)cc(=O)oc2c(OC)c1OC.[Cl-]- InChIKey
DVKUFTVZNOXZKA-UHFFFAOYSA-N- Molecular formula
- C19H28ClNO6
- Average molar mass
- 401.9 g/mol
- Monoisotopic mass
- 401.1605153
Names & identifiers
- Preferred name
- Coumarin, 6-(3-diethylamino-2-hydroxypropoxy)-7,8-dimethoxy-4-methyl-, hydrochloride
- IUPAC
- [3-(7,8-dimethoxy-4-methyl-2-oxochromen-6-yl)oxy-2-hydroxypropyl]-diethylazanium chloride
Names & synonyms
Coumarin, 6-(3-diethylamino-2-hydroxypropoxy)-7,8-dimethoxy-4-methyl-, hydrochloride6-(3-Diethylamino-2-hydroxypropoxy)-7,8-dimethoxy-4-methylcoumarin hydrochloride63446-06-0RefChem:334445
Database identifiers
- CAS
63446-06-0- PubChem CID
- 44509
Properties
Computed structural properties
- Topological polar surface area
- 78.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 492
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Compound notes
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