Basic information
- CAS
64188-66-5- Standard SMILES
CCCCN1C2c3ccccc3-c3ccccc3C21- InChIKey
MYTZVIORDXTLQG-UHFFFAOYSA-N- Molecular formula
- C18H19N
- Average molar mass
- 249.3 g/mol
- Monoisotopic mass
- 249.15174961
Names & identifiers
- Preferred name
- N-n-Butylphenanthreneimine
- IUPAC
- 1-butyl-1a,9b-dihydrophenanthro[9,10-b]azirine
Names & synonyms
N-Butylphenanthrene 9,10-imine64188-66-51H-Phenanthro(9,10-b)azirine, 1a,9b-dihydro-1-butyl-1-Butyl-1a,9b-dihydro-1H-phenanthro(9,10-b)azirineN-n-Butylphenanthreneimine1-Butyl-1a,9b-dihydro-1H-phenanthro[9,10-b]azirineCCRIS 2134BRN 1580235K7H9V7V2M2DTXSID109827271-Butyl-1a,9b-dihydro-1H-phenanthro[9,10-b]azirene1H-Phenanthro[9,10-b]azirine, 1-butyl-1a,9b-dihydro-
Database identifiers
- CAS
64188-66-5- PubChem CID
- 149042
- DTXSID
DTXSID10982727- UNII
- K7H9V7V2M2
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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