Basic information
- CAS
31573-45-2- Standard SMILES
Cc1cc2nc(c1)CCCCCCCCCC2- InChIKey
OUKMHRRHBQEKDE-UHFFFAOYSA-N- Molecular formula
- C16H25N
- Average molar mass
- 231.38 g/mol
- Monoisotopic mass
- 231.1986998
Names & identifiers
- Preferred name
- 14-Methyl-16-azabicyclo[10.3.1]hexadeca-1(16),12,14-triene
- IUPAC
- 14-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene
- English name
- 14-methyl-16-azabicyclo[10.3.1]hexadeca-1(16),12,14-triene
- Molecular formula
- C16H25N
- Molecular weight
- 231.38
Names & synonyms
31573-45-2EINECS 250-711-714-METHYL-16-AZABICYCLO[10.3.1]HEXADECA-1(16),12,14-TRIENE14-Methyl-16-azabicyclo(10.3.1)hexadeca-1(16),12,14-trieneDTXSID40953546RefChem:78664DTXCID901381595250-711-7OUKMHRRHBQEKDE-UHFFFAOYSA-N14-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-trieneDB-238212NS00051332
Show more names
16-Azabicyclo[10.3.1]hexadeca-1(16),12,14-triene, 14-methyl-
Database identifiers
- CAS
31573-45-2- PubChem CID
- 53422650
- DTXSID
DTXSID40953546- EC Number
- 250-711-7
- Nikkaji
- J278.149B
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- Melting point
- 103 · 103-105 °C
- Boiling point
- 348.7 · 348.7±11.0 °C(Predicted)
- Density
- 0.917 · 0.917±0.06 g/cm3(Predicted)
- pka
- 7.44 · 7.44±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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