Basic information
- CAS
4208-25-7- Standard SMILES
CC(C)(CO)N1CC2(c3ccccc3)CN(C(C)(C)CO)CC(c3ccccc3)(C1)C2=O- InChIKey
DWULQFGSUUQXGP-UHFFFAOYSA-N- Molecular formula
- C27H36N2O3
- Average molar mass
- 436.6 g/mol
- Monoisotopic mass
- 436.27259301
Names & identifiers
- Preferred name
- 3,7-Diazabicyclo(3.3.1)nonan-9-one, 3,7-bis(1,1-dimethyl-2-hydroxyethyl)-1,5-diphenyl-
- IUPAC
- 3,7-bis(1-hydroxy-2-methylpropan-2-yl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Names & synonyms
I.S. 3231BRN 07699803,7-Diazabicyclo(3.3.1)nonan-9-one, 3,7-bis(1,1-dimethyl-2-hydroxyethyl)-1,5-diphenyl-4208-25-7DTXSID701949205-24-04-00468 (Beilstein Handbook Reference)3,7-Bis(1,1-dimethyl-2-hydroxyethyl)-1,5-diphenyl-3,7-diazabicyclo(3.3.1)nonan-9-oneRefChem:272508DTXCID101174113,7-bis(1-hydroxy-2-methylpropan-2-yl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Database identifiers
- CAS
4208-25-7- PubChem CID
- 20182
- DTXSID
DTXSID70194920- Nikkaji
- J68.394I
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 608
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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