Basic information
- CAS
21977-22-0- Standard SMILES
Clc1ccc2c(c1)CO[NH+](CC[NH+]1CCCCC1)C2.[Cl-].[Cl-]- InChIKey
GDTRBAWPVCBCJA-UHFFFAOYSA-N- Molecular formula
- C15H23Cl3N2O
- Average molar mass
- 353.7 g/mol
- Monoisotopic mass
- 352.087596
Names & identifiers
- Preferred name
- 1H-2,3-Benzoxazine, 3,4-dihydro-7-chloro-3-(2-piperidinoethyl)-, dihydrochloride
- IUPAC
- 7-chloro-3-(2-piperidin-1-ium-1-ylethyl)-3,4-dihydro-1H-2,3-benzoxazin-3-ium dichloride
Names & synonyms
21977-22-01H-2,3-BENZOXAZINE, 3,4-DIHYDRO-7-CHLORO-3-(2-PIPERIDINOETHYL)-, DIHYDROCHLORIDERefChem:10577641H-2,3-Benzoxazine, 7-chloro-3,4-dihydro-3-(2-piperidinoethyl)-, dihydrochloride7-Chloro-3-(2-piperidinoethyl)-3,4-dihydro-1H-2,3-benzoxazine dihydrochloride
Database identifiers
- CAS
21977-22-0- PubChem CID
- 30882
Properties
Computed structural properties
- Topological polar surface area
- 18.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 283
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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