Basic information
- CAS
33024-37-2- Standard SMILES
CCC1CCC(NC(=O)N(CCF)N=O)CC1- InChIKey
GNUJKJSZLXIUOB-UHFFFAOYSA-N- Molecular formula
- C11H20FN3O2
- Average molar mass
- 245.29 g/mol
- Monoisotopic mass
- 245.15395505
Names & identifiers
- Preferred name
- Urea, 3-(4-ethylcyclohexyl)-1-(2-fluoroethyl)-1-nitroso-
- IUPAC
- 3-(4-ethylcyclohexyl)-1-(2-fluoroethyl)-1-nitrosourea
- English name
- N'-(4-Ethylcyclohexyl)-N-(2-fluoroethyl)-N-nitrosourea
- Molecular formula
- C11H20FN3O2
- Molecular weight
- 245.29
Names & synonyms
33024-37-23-(4-Ethylcyclohexyl)-1-(2-fluoroethyl)-1-nitrosoureaNSC 129966Urea, 3-(4-ethylcyclohexyl)-1-(2-fluoroethyl)-1-nitroso-BRN 2134230Urea, N'-(4-ethylcyclohexyl)-N-(2-fluoroethyl)-N-nitroso-DTXSID70186683RefChem:387664DTXCID10109174Urea, N'-(4-ethylcyclohexyl)-N-(2-fluoroethyl)-N-nitroso-(9CI)N'-(4-ethylcyclohexyl)-N-(2-fluoroethyl)-N-nitrosoureaNSC 129,966
Show more names
NSC-12996651795-05-23-(E)(4-Ethylcyclohexyl)-1-(2-fluoroethyl)-1-nitrosoureaUrea, 3-(4-ethylcyclohexyl)-1-(2-fluoroethyl)-1-nitroso-, (E)-CHEMBL274792CHEMBL3276039NSC129966DB-265784
Database identifiers
- CAS
33024-37-2、51795-05-2- PubChem CID
- 97526
- DTXSID
DTXSID70186683- ChEMBL
CHEMBL274792、CHEMBL3276039- Nikkaji
- J54.439F、J87.712C
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 10.87 · 10.87±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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