3,8-Dimethyl-3,4-dihydro-2H-1,3-benzoxazine
Basic information
- CAS
3534-32-5- Standard SMILES
Cc1cccc2c1OCN(C)C2- InChIKey
CHTFTJLTMNDZBC-UHFFFAOYSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Names & identifiers
- Preferred name
- 3,8-Dimethyl-3,4-dihydro-2H-1,3-benzoxazine
- IUPAC
- 3,8-dimethyl-2,4-dihydro-1,3-benzoxazine
- English name
- 3,4-Dihydro-3,8-dimethyl-(2H)-1,3-benzoxazine
- Molecular formula
- C10H13NO
- Molecular weight
- 163.22
Names & synonyms
3534-32-52H-1,3-BENZOXAZINE, 3,4-DIHYDRO-3,8-DIMETHYL-3,8-dimethyl-3,4-dihydro-2H-1,3-benzoxazine3,4-Dihydro-3,8-dimethyl-2H-1,3-benzoxazineNSC 85472BRN 0972775NSC-854722X44522D92DTXSID40188836UNII-2X44522D92RefChem:198138DTXCID00111327
Show more names
3,4-dihydro-3,8-dimethyl-2H-1,3-benz[e]oxazine
2,8-dimethyl-10-oxa-8-azabicyclo[4.4.0]deca-1,3,5-triene3,8-dimethyl-3,4-dihydro-2H-benzo[e][1,3]oxazine3,8-dimethyl-2,4-dihydro-1,3-benzoxazineNSC85472NCIOpen2_001208SCHEMBL113843103,8-dimethyl-2H-1,3-benzoxazineSBB087711
Database identifiers
- CAS
3534-32-5- PubChem CID
- 19054
- DTXSID
DTXSID40188836- UNII
- 2X44522D92
- Nikkaji
- J41.917F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Melting point
- 37.5 · 37.5-38.5 °C
- Boiling point
- 231 · 231.0±19.0 °C(Predicted)
- Density
- 1.055 · 1.055±0.06 g/cm3(Predicted)
- pka
- 6.4 · 6.40±0.20(Predicted)
- FDA UNII
- 2 X44522D92 · 2X44522D92
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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