Basic information
- CAS
15769-91-2- Standard SMILES
CN1CCCC(c2ccc(Cl)cc2)O1- InChIKey
DAHISRJDRDHLFM-UHFFFAOYSA-N- Molecular formula
- C11H14ClNO
- Average molar mass
- 211.69 g/mol
- Monoisotopic mass
- 211.0763918
Names & identifiers
- Preferred name
- 6-(4-Chlorophenyl)-2-methyloxazinane
- IUPAC
- 6-(4-chlorophenyl)-2-methyloxazinane
- English name
- 6-(4-Chlorophenyl)-3,4,5,6-tetrahydro-2-methyl-2H-1,2-oxazine
- Molecular formula
- C11H14ClNO
- Molecular weight
- 211.69
Names & synonyms
6-(4-chlorophenyl)-2-methyloxazinane15769-91-2DTXSID80338297RefChem:306622DTXCID502893836-(4-Chlorophenyl)-2-methyl-1,2-oxazinane2H-1,2-Oxazine, 6-(p-chlorophenyl)tetrahydro-2-methyl-6-(4-Chlorophenyl)-3,4,5,6-tetrahydro-2-methyl-2H-1,2-oxazine2H-1,2-Oxazine, 6-(4-chlorophenyl)tetrahydro-2-methyl-DAHISRJDRDHLFM-UHFFFAOYSA-N6-(4-Chlorophenyl)-2-methyl-1,2-oxazinane #
Database identifiers
- CAS
15769-91-2- PubChem CID
- 548199
- DTXSID
DTXSID80338297- Nikkaji
- J105.136I
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Boiling point
- 285.7 · 285.7±50.0 °C(Predicted)
- Density
- 1.146 · 1.146±0.06 g/cm3(Predicted)
- pka
- 3.44 · 3.44±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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