Basic information
- CAS
61137-53-9- Standard SMILES
CC(=O)OCC1CCC(NC(=O)N(CCF)N=O)CC1- InChIKey
DSAIPBQRUPSXOR-UHFFFAOYSA-N- Molecular formula
- C12H20FN3O4
- Average molar mass
- 289.3 g/mol
- Monoisotopic mass
- 289.14378429
Names & identifiers
- Preferred name
- Acetic acid, (4-(3-(2-fluoroethyl)-3-nitrosoureido)cyclohexyl)methyl ester, (E)-
- IUPAC
- [4-[[2-fluoroethyl(nitroso)carbamoyl]amino]cyclohexyl]methyl acetate
Names & synonyms
ACETIC ACID, (4-(3-(2-FLUOROETHYL)-3-NITROSOUREIDO)CYCLOHEXYL)METHYL ESTER, (E)-NSC-22409761137-53-9Urea, N'-(4-((acetyloxy)methyl)cyclohexyl)-N-(2-fluoroethyl)-N-nitroso-, trans-61137-56-2Urea, N'-[4-[(acetyloxy)methyl]cyclohexyl]-N-(2-fluoroethyl)-N-nitroso-, trans-NSC 224097NSC224097EBP29JU2CGtrans-1-(2-Fluoroethyl)-3-(4-hydroxycyclohexyl)-1-nitrosourea acetateUrea, 1-(2-fluoroethyl)-3-(4-hydroxycyclohexyl)-1-nitroso-, acetate, (E)-CHEMBL274622
Show more names
CHEMBL3244490DTXSID40976654N'-{(1r,4r)-4-[(Acetyloxy)methyl]cyclohexyl}-N-(2-fluoroethyl)-N-nitrosocarbamimidic acidN'-{4-[(Acetyloxy)methyl]cyclohexyl}-N-(2-fluoroethyl)-N-nitrosocarbamimidic acidUrea,N'-[4-[(acetyloxy)methyl]cyclohexyl]-N-(2-fluoroethyl)-N-(2-fluoroethyl)-N-nitroso-,trans-
Database identifiers
- CAS
61137-53-9、61137-56-2- PubChem CID
- 43550
- DTXSID
DTXSID40976654- ChEMBL
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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