Basic information
- CAS
91540-29-3- Standard SMILES
CCCCCN1C2c3ccccc3-c3ccccc3C21- InChIKey
XMPFNEBCESSDIS-UHFFFAOYSA-N- Molecular formula
- C19H21N
- Average molar mass
- 263.4 g/mol
- Monoisotopic mass
- 263.16739967
Names & identifiers
- Preferred name
- 1H-Phenanthro(9,10-b)azirine, 1a,9b-dihydro-1-pentyl-
- IUPAC
- 1-pentyl-1a,9b-dihydrophenanthro[9,10-b]azirine
Names & synonyms
CCRIS 2137N-Pentylphenanthrene 9,10-imineBRN 44694511a,9b-Dihydro-1-pentyl-1H-phenanthro(9,10-b)azirine91540-29-31H-Phenanthro(9,10-b)azirine, 1a,9b-dihydro-1-pentyl-RefChem:239456DTXSID709196751-Pentyl-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene1-Pentyl-1a,9b-dihydro-1H-phenanthro[9,10-b]azirine
Database identifiers
- CAS
91540-29-3- PubChem CID
- 150341
- DTXSID
DTXSID70919675
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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