Basic information
- CAS
57462-96-1- Standard SMILES
C[NH2+]C(C)CN1C(=O)C(C)Oc2ccc(Cl)cc21.O=C([O-])C(=O)O- InChIKey
ZTYFFZPRLMVIPZ-UHFFFAOYSA-N- Molecular formula
- C15H19ClN2O6
- Average molar mass
- 358.77 g/mol
- Monoisotopic mass
- 358.093164
Names & identifiers
- Preferred name
- 4H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-2-methyl-4-(2-(methylamino)propyl)-, oxalate
- IUPAC
- 1-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)propan-2-yl-methylazanium;2-hydroxy-2-oxoacetate
Names & synonyms
4H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-2-methyl-4-(2-(methylamino)propyl)-, oxalate57462-96-16-Chloro-2-methyl-4-(2-(methylamino)propyl)-2,3-dihydro-4H-1,4-benzoxazin-3-one oxalateRefChem:297123
Database identifiers
- CAS
57462-96-1- PubChem CID
- 42350
Properties
Computed structural properties
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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