Basic information
- CAS
57462-77-8- Standard SMILES
C[NH+](C)CCCN1C(=O)COc2ccc(Cl)cc21.[Cl-]- InChIKey
ZDQJMUIEQNGXTC-UHFFFAOYSA-N- Molecular formula
- C13H18Cl2N2O2
- Average molar mass
- 305.2 g/mol
- Monoisotopic mass
- 304.0745332
Names & identifiers
- Preferred name
- 4H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-4-(3-dimethylaminopropyl)-, hydrochloride
- IUPAC
- 3-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)propyl-dimethylazanium chloride
Names & synonyms
4H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-4-(3-dimethylaminopropyl)-, hydrochloride57462-77-84H-1,4-Benzoxazin-3-one, 6-chloro-2,3-dihydro-4-(3-dimethylaminopropyl)-, hydrochlorideRefChem:297136
Database identifiers
- CAS
57462-77-8- PubChem CID
- 42328
Properties
Computed structural properties
- Topological polar surface area
- 34 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 299
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…