Basic information
- CAS
63446-03-7- Standard SMILES
COc1cc2oc(=O)cc(C)c2cc1OCC(O)C[NH2+]CC(C)C.[Cl-]- InChIKey
BPLCCZRTHDVTHG-UHFFFAOYSA-N- Molecular formula
- C18H26ClNO5
- Average molar mass
- 371.9 g/mol
- Monoisotopic mass
- 371.1499506
Names & identifiers
- Preferred name
- Coumarin, 6-(2-hydroxy-3-isobutylaminopropoxy)-7-methoxy-4-methyl-, hydrochloride
- IUPAC
- [2-hydroxy-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)oxypropyl]-(2-methylpropyl)azanium chloride
Names & synonyms
Coumarin, 6-(2-hydroxy-3-isobutylaminopropoxy)-7-methoxy-4-methyl-, hydrochloride6-(3-Isobutylamino-2-hydroxypropoxy)-7-methoxy-4-methylcoumarin hydrochloride63446-03-7RefChem:334444
Database identifiers
- CAS
63446-03-7- PubChem CID
- 44503
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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