Basic information
- CAS
19066-35-4- Standard SMILES
O=C1N2CN3CC(c4ccccc4)(C2)CC1(c1ccccc1)C3- InChIKey
LPVYSZDXQGZULM-UHFFFAOYSA-N- Molecular formula
- C20H20N2O
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.15756327
Names & identifiers
- Preferred name
- 5,7-Diphenyl-1,3-diazatricyclo[3.3.1.13,7]decan-4-one
- IUPAC
- 5,7-diphenyl-1,3-diazatricyclo[3.3.1.13,7]decan-4-one
- English name
- 5,7-Diphenyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
- Molecular formula
- C20H20N2O
- Molecular weight
- 304.39
Names & synonyms
5,7-diphenyl-1,3-diazatricyclo[3.3.1.13,7]decan-4-oneBRN 0039810DTXSID809406325-24-04-00593 (Beilstein Handbook Reference)5,7-Diphenyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-4-one1,5-Diphenyl-3,7-diazaadamantan-9-one(1r,3r,5r,7r)-5,7-diphenyl-1,3-diazaadamantan-6-one5,7-diphenyl-1,3-diazatricyclo[3.3.1.1,]decan-6-one5,7-Diphenyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one1,3-Diazatricyclo[3.3.1.13,7]decan-6-one, 5,7-diphenyl-
Database identifiers
- CAS
19066-35-4- PubChem CID
- 29400
- DTXSID
DTXSID80940632
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 494
Physicochemical properties
- Melting point
- 257 °C · 257 °C
- Boiling point
- 478.3 · 478.3±45.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 4.69 · 4.69±0.60(Predicted)
Chemistry & industry
Suppliers2 total
浙江泽天精细化工有限公司18957127338 · [email protected]
安徽迪合永欣药业有限公司0556-05565590630 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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