3-Cyclohexyl-1-(2-methoxyethyl)-1-nitrosourea

HCID 96752

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Basic information

CAS: 66929-47-3
Standard SMILES: COCCN(N=O)C(=O)NC1CCCCC1
InChIKey: VUTCALJBANLPBW-UHFFFAOYSA-N
Molecular formula: C10H19N3O3
Average molar mass: 229.28 g/mol
Monoisotopic mass: 229.14264148

Names & identifiers

Preferred name: 3-Cyclohexyl-1-(2-methoxyethyl)-1-nitrosourea
IUPAC: 3-cyclohexyl-1-(2-methoxyethyl)-1-nitrosourea

Names & synonyms

3-cyclohexyl-1-(2-methoxyethyl)-1-nitrosourea66929-47-3IG776VXN0XUrea, N-cyclohexyl-N-(2-methoxyethyl)-N-nitroso-NSC-88718NSC88718NSC 88718UNII-IG776VXN0XDTXSID50985595N'-Cyclohexyl-N-(2-methoxyethyl)-N-nitrosocarbamimidic acidUREA, N'-CYCLOHEXYL-N-(2-METHOXYETHYL)-N-NITROSO-

Database identifiers

CAS: 66929-47-3
PubChem CID: 96752
DTXSID: DTXSID50985595
UNII: IG776VXN0X

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 71 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 229

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