Basic information
- CAS
82058-30-8- Standard SMILES
CCCCNC(=O)N1C(c2ccccc2)C2C(=O)C(C)(C(c3ccccc3)NC2c2ccccc2)C1c1ccccc1- InChIKey
CGOIRVHUWIPHDM-UHFFFAOYSA-N- Molecular formula
- C37H39N3O2
- Average molar mass
- 557.7 g/mol
- Monoisotopic mass
- 557.3042275
Names & identifiers
- Preferred name
- 3,7-Diazabicyclo(3.3.1)nonane-3-carboxamide, N-butyl-5-methyl-9-oxo-2,4,6,8-tetraphenyl-
- IUPAC
- N-butyl-1-methyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide
- English name
- N-butyl-1-methyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nona ne-7-carboxamide
- Molecular formula
- C37H39N3O2
- Molecular weight
- 557.72
Names & synonyms
82058-30-8ITA 433BRN 5684438N-Butyl-5-methyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo(3.3.1)nonane-3-carboxamide3,7-Diazabicyclo(3.3.1)nonane-3-carboxamide, N-butyl-5-methyl-9-oxo-2,4,6,8-tetraphenyl-RefChem:272541DTXSID601002437N-Butyl-1-methyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carboximidic acidN-butyl-1-methyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nona ne-7-carboxamide3,7-Diazabicyclo[3.3.1]nonane-3-carboxamide, N-butyl-1-methyl-9-oxo-2,4,6,8-tetraphenyl-
Database identifiers
- CAS
82058-30-8- PubChem CID
- 54816
- DTXSID
DTXSID601002437- Nikkaji
- J68.372H
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 899
Physicochemical properties
- Boiling point
- 721.1 · 721.1±60.0 °C(Predicted)
- Density
- 1.149 · 1.149±0.06 g/cm3(Predicted)
- pka
- 13.94 · 13.94±0.70(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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