4H-1,4-Benzoxazin-3-one, 2,3-dihydro-2,6-dimethyl-4-(2-(dimethylamino)propyl)-, hydrochloride
Basic information
- CAS
57462-85-8- Standard SMILES
Cc1ccc2c(c1)N(CC(C)[NH+](C)C)C(=O)C(C)O2.[Cl-]- InChIKey
GJDMTPFVCPFMQA-UHFFFAOYSA-N- Molecular formula
- C15H23ClN2O2
- Average molar mass
- 298.81 g/mol
- Monoisotopic mass
- 298.1448057
Names & identifiers
- Preferred name
- 4H-1,4-Benzoxazin-3-one, 2,3-dihydro-2,6-dimethyl-4-(2-(dimethylamino)propyl)-, hydrochloride
- IUPAC
- 1-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propan-2-yl-dimethylazanium chloride
Names & synonyms
57462-85-84H-1,4-Benzoxazin-3-one, 2,3-dihydro-2,6-dimethyl-4-(2-(dimethylamino)propyl)-, hydrochlorideRefChem:297116
Database identifiers
- CAS
57462-85-8- PubChem CID
- 42338
Properties
Computed structural properties
- Topological polar surface area
- 34 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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