4H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-4-(3-dimethylaminopropyl)-2-methyl-, hydrochloride
Basic information
- CAS
57462-76-7- Standard SMILES
CC1Oc2ccc(Cl)cc2N(CCC[NH+](C)C)C1=O.Cl- InChIKey
JPMXRTULSFBSIT-UHFFFAOYSA-O- Molecular formula
- C14H21Cl2N2O2+
- Average molar mass
- 320.2 g/mol
- Monoisotopic mass
- 319.0980083
Names & identifiers
- Preferred name
- 4H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-4-(3-dimethylaminopropyl)-2-methyl-, hydrochloride
- IUPAC
- 3-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)propyl-dimethylazanium;hydrochloride
Names & synonyms
57462-76-74H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-4-(3-dimethylaminopropyl)-2-methyl-, hydrochlorideRefChem:1071809
Database identifiers
- CAS
57462-76-7- PubChem CID
- 42326
Properties
Computed structural properties
- Topological polar surface area
- 34 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 1
- Complexity
- 325
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Compound notes
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