4H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-2-methyl-4-(2-methylaminoethyl)-, hydrochloride
Basic information
- CAS
57462-60-9- Standard SMILES
C[NH2+]CCN1C(=O)C(C)Oc2ccc(Cl)cc21.[Cl-]- InChIKey
FGNHWGZYBWJOLZ-UHFFFAOYSA-N- Molecular formula
- C12H16Cl2N2O2
- Average molar mass
- 291.17 g/mol
- Monoisotopic mass
- 290.0588831
Names & identifiers
- Preferred name
- 4H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-2-methyl-4-(2-methylaminoethyl)-, hydrochloride
- IUPAC
- 2-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)ethyl-methylazanium chloride
Names & synonyms
4H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-2-methyl-4-(2-methylaminoethyl)-, hydrochloride57462-60-9RefChem:297124
Database identifiers
- CAS
57462-60-9- PubChem CID
- 42302
Properties
Computed structural properties
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 288
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Compound notes
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