4H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-4-(2-dimethylaminoethyl)-2-phenyl-, hydrochloride
Basic information
- CAS
57462-70-1- Standard SMILES
C[NH+](C)CCN1C(=O)C(c2ccccc2)Oc2ccc(Cl)cc21.[Cl-]- InChIKey
NMQCHRIESWXCLN-UHFFFAOYSA-N- Molecular formula
- C18H20Cl2N2O2
- Average molar mass
- 367.3 g/mol
- Monoisotopic mass
- 366.0901833
Names & identifiers
- Preferred name
- 4H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-4-(2-dimethylaminoethyl)-2-phenyl-, hydrochloride
- IUPAC
- 2-(6-chloro-3-oxo-2-phenyl-1,4-benzoxazin-4-yl)ethyl-dimethylazanium chloride
Names & synonyms
57462-70-14H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-4-(2-dimethylaminoethyl)-2-phenyl-, hydrochlorideRefChem:297134
Database identifiers
- CAS
57462-70-1- PubChem CID
- 42320
Properties
Computed structural properties
- Topological polar surface area
- 34 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 412
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Compound notes
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