Basic information
- CAS
52458-02-3- Standard SMILES
CCC1(CC)OC(C)=Nc2ccccc21- InChIKey
XZKSGUWATLKJRF-UHFFFAOYSA-N- Molecular formula
- C13H17NO
- Average molar mass
- 203.28 g/mol
- Monoisotopic mass
- 203.13101417
Names & identifiers
- Preferred name
- 4,4-Diethyl-2-methyl-4H-3,1-benzoxazine
- IUPAC
- 4,4-diethyl-2-methyl-3,1-benzoxazine
Names & synonyms
4,4-Diethyl-2-methyl-4H-3,1-benzoxazine52458-02-3DTXSID10568787RefChem:284933DTXCID00519561
Database identifiers
- CAS
52458-02-3- PubChem CID
- 15134353
- DTXSID
DTXSID10568787
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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