1H-2,3-Benzoxazine, 3,4-dihydro-6-chloro-3-(2-(4-pyridyl)ethyl)-, hydrochloride
Basic information
- CAS
26694-00-8- Standard SMILES
Clc1ccc2c(c1)CN(CCc1cc[nH+]cc1)OC2.[Cl-]- InChIKey
HWHHQAIKYRNUCS-UHFFFAOYSA-N- Molecular formula
- C15H16Cl2N2O
- Average molar mass
- 311.2 g/mol
- Monoisotopic mass
- 310.0639685
Names & identifiers
- Preferred name
- 1H-2,3-Benzoxazine, 3,4-dihydro-6-chloro-3-(2-(4-pyridyl)ethyl)-, hydrochloride
- IUPAC
- 6-chloro-3-(2-pyridin-1-ium-4-ylethyl)-1,4-dihydro-2,3-benzoxazine chloride
Names & synonyms
1H-2,3-BENZOXAZINE, 3,4-DIHYDRO-6-CHLORO-3-(2-(4-PYRIDYL)ETHYL)-, HYDROCHLORIDE26694-00-86-Chloro-3-(2-(4-pyridyl)ethyl)-3,4-dihydro-1H-2,3-benzoxazine1H-2,3-Benzoxazine, 6-chloro-3,4-dihydro-3-(2-(4-pyridyl)ethyl)-, hydrochlorideRefChem:237276
Database identifiers
- CAS
26694-00-8- PubChem CID
- 33582
Properties
Computed structural properties
- Topological polar surface area
- 26.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 283
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Compound notes
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