Basic information
- CAS
26839-34-9- Standard SMILES
NC1=NC(c2ccccc2)C2Cc3ccccc3C2O1- InChIKey
BNRPQSTXCGOQJS-UHFFFAOYSA-N- Molecular formula
- C17H16N2O
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.12626314
Names & identifiers
- Preferred name
- Indeno(2,1-e)-1,3-oxazine, 4,4a-alpha,5,9b-alpha-tetrahydro-2-amino-4-phenyl-, (+-)-
- IUPAC
- 4-phenyl-4,4a,5,9b-tetrahydroindeno[2,1-e][1,3]oxazin-2-amine
Names & synonyms
BRN 099684226839-34-92-Amino-4-phenyl-2,4a,5,9b-tetrahydroindeno(2,1-e)-1,3-oxazineIndeno(2,1-e)-1,3-oxazine, 4,4a-alpha,5,9b-alpha-tetrahydro-2-amino-4-phenyl-, (+-)-RefChem:349096DTXSID809496254-Phenyl-4,4a,5,9b-tetrahydroindeno[2,1-e][1,3]oxazin-2(3H)-imine
Database identifiers
- CAS
26839-34-9- PubChem CID
- 213613
- DTXSID
DTXSID80949625
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 388
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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