Basic information
- CAS
33024-42-9- Standard SMILES
CC12CC3(C)CC(C)(C1)CC(NC(=O)N(CCF)N=O)(C2)C3- InChIKey
ABDNOXBKKCVKEO-UHFFFAOYSA-N- Molecular formula
- C16H26FN3O2
- Average molar mass
- 311.39 g/mol
- Monoisotopic mass
- 311.20090524
Names & identifiers
- Preferred name
- Urea, 1-(2-fluoroethyl)-1-nitroso-3-(3,5,7-trimethyl-1-adamantyl)-
- IUPAC
- 1-(2-fluoroethyl)-1-nitroso-3-(3,5,7-trimethyl-1-adamantyl)urea
- English name
- 1-(2-Fluoroethyl)-1-nitroso-3-(3,5,7-trimethyladamantan-1-yl)urea
- Molecular formula
- C16H26FN3O2
- Molecular weight
- 311.39
Names & synonyms
33024-42-91-(2-Fluoroethyl)-1-nitroso-3-(3,5,7-trimethyl-1-adamantyl)ureaNSC 106917BRN 2162800Urea, 1-(2-fluoroethyl)-1-nitroso-3-(3,5,7-trimethyl-1-adamantyl)-DTXSID70186688RefChem:387375DTXCID101091791-(2-Fluoroethyl)-1-nitroso-3-(3,5,7-trimethyladamantan-1-yl)ureaNSC106917NSC-106917DB-258695
Show more names
Urea, N-(2-fluoroethyl)-N-nitroso-N'-(3,5,7-trimethyltricyclo[3.3.1.13,7]dec-1-yl)-
N-(2-Fluoroethyl)-N-nitroso-N'-(3,5,7-trimethyladamantan-1-yl)urea
Database identifiers
- CAS
33024-42-9- PubChem CID
- 64293
- DTXSID
DTXSID70186688- Nikkaji
- J48.934D
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 450
Physicochemical properties
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 10.88 · 10.88±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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