Basic information
- CAS
57462-78-9- Standard SMILES
CC[NH+](CC)CCCN1C(=O)C(C)Oc2ccc(Cl)cc21.[Cl-]- InChIKey
JWRZCPAJSVTHSO-UHFFFAOYSA-N- Molecular formula
- C16H24Cl2N2O2
- Average molar mass
- 347.3 g/mol
- Monoisotopic mass
- 346.1214834
Names & identifiers
- Preferred name
- 4H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-4-(3-diethylaminopropyl)-2-methyl-, hydrochloride
- IUPAC
- 3-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)propyl-diethylazanium chloride
Names & synonyms
4H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-4-(3-diethylaminopropyl)-2-methyl-, hydrochloride57462-78-9RefChem:297135
Database identifiers
- CAS
57462-78-9- PubChem CID
- 42330
Properties
Computed structural properties
- Topological polar surface area
- 34 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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