Coumarin, 7-(3-diethylamino-2-hydroxypropoxy)-6-methoxy-4-methyl-, hydrochloride

HCID 44543

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Basic information

CAS: 63480-90-0
Standard SMILES: CC[NH+](CC)CC(O)COc1cc2oc(=O)cc(C)c2cc1OC.[Cl-]
InChIKey: UACCGMCHBOVMMW-UHFFFAOYSA-N
Molecular formula: C18H26ClNO5
Average molar mass: 371.9 g/mol
Monoisotopic mass: 371.1499506

Names & identifiers

Preferred name: Coumarin, 7-(3-diethylamino-2-hydroxypropoxy)-6-methoxy-4-methyl-, hydrochloride
IUPAC: diethyl-[2-hydroxy-3-(6-methoxy-4-methyl-2-oxochromen-7-yl)oxypropyl]azanium chloride

Names & synonyms

7-(3-Diethylamino-2-hydroxypropoxy)-6-methoxy-4-methylcoumarin hydrochloride63480-90-0COUMARIN, 7-(3-DIETHYLAMINO-2-HYDROXYPROPOXY)-6-METHOXY-4-METHYL-, HYDROCHLORIDERefChem:334462

Database identifiers

CAS: 63480-90-0
PubChem CID: 44543

Properties

Computed structural properties

Topological polar surface area: 69.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 25
Formal charge: 0
Complexity: 449

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