Basic information
- CAS
63446-02-6- Standard SMILES
COc1cc2c(C)cc(=O)oc2cc1OCC(O)C[NH2+]CC(C)C.[Cl-]- InChIKey
CUSFKPHCZFTOGY-UHFFFAOYSA-N- Molecular formula
- C18H26ClNO5
- Average molar mass
- 371.9 g/mol
- Monoisotopic mass
- 371.1499506
Names & identifiers
- Preferred name
- Coumarin, 7-(2-hydroxy-3-isobutylaminopropoxy)-6-methoxy-4-methyl-, hydrochloride
- IUPAC
- [2-hydroxy-3-(6-methoxy-4-methyl-2-oxochromen-7-yl)oxypropyl]-(2-methylpropyl)azanium chloride
Names & synonyms
Coumarin, 7-(2-hydroxy-3-isobutylaminopropoxy)-6-methoxy-4-methyl-, hydrochloride7-(3-Isobutylamino-2-hydroxypropoxy)-6-methoxy-4-methylcoumarin hydrochloride63446-02-6RefChem:334460
Database identifiers
- CAS
63446-02-6- PubChem CID
- 44501
Properties
Computed structural properties
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 451
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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