4H-1,4-Benzoxazin-3-one, 2,3-dihydro-4-(2-diethylaminoethyl)-2-methyl-6-nitro-, hydrochloride
Basic information
- CAS
57462-67-6- Standard SMILES
CC[NH+](CC)CCN1C(=O)C(C)Oc2ccc([N+](=O)[O-])cc21.[Cl-]- InChIKey
XYLUMUDIJHWKSB-UHFFFAOYSA-N- Molecular formula
- C15H22ClN3O4
- Average molar mass
- 343.8 g/mol
- Monoisotopic mass
- 343.1298839
Names & identifiers
- Preferred name
- 4H-1,4-Benzoxazin-3-one, 2,3-dihydro-4-(2-diethylaminoethyl)-2-methyl-6-nitro-, hydrochloride
- IUPAC
- diethyl-[2-(2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl)ethyl]azanium chloride
Names & synonyms
57462-67-64H-1,4-Benzoxazin-3-one, 2,3-dihydro-4-(2-diethylaminoethyl)-2-methyl-6-nitro-, hydrochlorideRefChem:297119
Database identifiers
- CAS
57462-67-6- PubChem CID
- 42316
Properties
Computed structural properties
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 408
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Compound notes
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