Basic information
- CAS
34604-31-4- Standard SMILES
Cc1oc2ccc(C(O)CNC(C)C)cc2c(=O)c1C.Cl- InChIKey
QKEHICADTZVCHC-UHFFFAOYSA-N- Molecular formula
- C16H22ClNO3
- Average molar mass
- 311.8 g/mol
- Monoisotopic mass
- 311.1288213
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 2,3-dimethyl-6-(1-hydroxy-2-((1-methylethyl)amino)ethyl)-, hydrochloride
- IUPAC
- 6-[1-hydroxy-2-(propan-2-ylamino)ethyl]-2,3-dimethylchromen-4-one;hydrochloride
Names & synonyms
34604-31-42,3-Dimethyl-6-(1-hydroxy-2-((1-methylethyl)amino)ethyl)-4H-1-benzopyran-4-one hydrochloride4H-1-Benzopyran-4-one, 2,3-dimethyl-6-(1-hydroxy-2-((1-methylethyl)amino)ethyl)-, hydrochlorideRefChem:297225DTXSID909561086-{1-Hydroxy-2-[(propan-2-yl)amino]ethyl}-2,3-dimethyl-4H-1-benzopyran-4-one--hydrogen chloride (1/1)
Database identifiers
- CAS
34604-31-4- PubChem CID
- 214928
- DTXSID
DTXSID90956108
Properties
Computed structural properties
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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