4H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-2-methyl-4-(3-methylaminopropyl)-, oxalate
Basic information
- CAS
57462-75-6- Standard SMILES
C[NH2+]CCCN1C(=O)C(C)Oc2ccc(Cl)cc21.O=C([O-])C(=O)O- InChIKey
OXFIVVVRVHQCKA-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-(3-methylaminopropyl)-, oxalate
- IUPAC
- 3-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)propyl-methylazanium;2-hydroxy-2-oxoacetate
Names & synonyms
4H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-2-methyl-4-(3-methylaminopropyl)-, oxalate6-Chloro-2-methyl-4-(3-methylaminopropyl)-2,3-dihydro-4H-1,4-benzoxazin-3-one oxalate57462-75-6RefChem:297127
Database identifiers
- CAS
57462-75-6- PubChem CID
- 42324
Properties
Computed structural properties
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 379
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Compound notes
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