Basic information
- CAS
57028-64-5- Standard SMILES
Cc1cc(=O)oc2c(CN(C(C)C)C3CCCCC3)c(O)ccc12.Cl- InChIKey
KYNXWIOSBZHSFW-UHFFFAOYSA-N- Molecular formula
- C20H28ClNO3
- Average molar mass
- 365.9 g/mol
- Monoisotopic mass
- 365.1757714
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-2-one, 8-((cyclohexyl(1-methylethyl)amino)methyl)-7-hydroxy-4-methyl-, hydrochloride
- IUPAC
- 8-[[cyclohexyl(propan-2-yl)amino]methyl]-7-hydroxy-4-methylchromen-2-one;hydrochloride
Names & synonyms
2H-1-Benzopyran-2-one, 8-((cyclohexyl(1-methylethyl)amino)methyl)-7-hydroxy-4-methyl-, hydrochloride8-((Cyclohexyl(1-methylethyl)amino)methyl)-7-hydroxy-4-methyl-2H-1-benzopyran-2-one HCl57028-64-5DTXSID40205638RefChem:268259DTXCID701281298-{[Cyclohexyl(propan-2-yl)amino]methyl}-7-hydroxy-4-methyl-2H-1-benzopyran-2-one--hydrogen chloride (1/1)
Database identifiers
- CAS
57028-64-5- PubChem CID
- 5745481
- DTXSID
DTXSID40205638
Properties
Computed structural properties
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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