Basic information
- CAS
14039-08-8- Standard SMILES
O=NN(CCF)C(=O)NC12CC3CC(CC(C3)C1)C2- InChIKey
FFFYTTAHDCCGMH-UHFFFAOYSA-N- Molecular formula
- C13H20FN3O2
- Average molar mass
- 269.32 g/mol
- Monoisotopic mass
- 269.15395505
Names & identifiers
- Preferred name
- Urea, 1-(1-adamantyl)-3-(2-fluoroethyl)-1-nitroso-
- IUPAC
- 3-(1-adamantyl)-1-(2-fluoroethyl)-1-nitrosourea
Names & synonyms
NSC-931613-(1-Adamantyl)-1-(2-fluoroethyl)-1-nitrosoureaUrea, 1-(1-adamantyl)-3-(2-fluoroethyl)-1-nitroso-BRN 287937614039-08-8Urea,3-(1-adamantyl)-1-(2-fluoroethyl)-1-nitroso-Urea, N-(2-fluoroethyl)-N-nitroso-N'-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-Urea, N-(2-fluoroethyl)-N-nitroso-N'-tricyclo(3.3.1.13,7)dec-1-yl-NSC93161Urea, 3-(1-adamantyl)-1-(2-fluoroethyl)-1-nitroso-DTXSID60161323N'-(Adamantan-1-yl)-N-(2-fluoroethyl)-N-nitrosourea
Database identifiers
- CAS
14039-08-8- PubChem CID
- 64167
- DTXSID
DTXSID60161323- Nikkaji
- J395.445E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 347
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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