Pyrido(2,1-c)(1,4)oxazine, octahydro-3-butoxy-3-phenyl-, hydrochloride
Basic information
- CAS
126806-98-2- Standard SMILES
CCCCOC1(c2ccccc2)CN2CCCCC2CO1.Cl- InChIKey
MXOLCOLASAZJRW-UHFFFAOYSA-N- Molecular formula
- C18H28ClNO2
- Average molar mass
- 325.9 g/mol
- Monoisotopic mass
- 325.1808568
Names & identifiers
- Preferred name
- Pyrido(2,1-c)(1,4)oxazine, octahydro-3-butoxy-3-phenyl-, hydrochloride
- IUPAC
- 3-butoxy-3-phenyl-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrochloride
Names & synonyms
Octahydro-3-butoxy-3-phenylpyrido(2,1-c)(1,4)oxazine hydrochloride126806-98-2Pyrido(2,1-c)(1,4)oxazine, octahydro-3-butoxy-3-phenyl-, hydrochlorideRefChem:377301DTXSID209257063-Butoxy-3-phenyloctahydropyrido[2,1-c][1,4]oxazine--hydrogen chloride (1/1)
Database identifiers
- CAS
126806-98-2- PubChem CID
- 3079953
- DTXSID
DTXSID20925706
Properties
Computed structural properties
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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