1-(2-Hydroxyhexyl)-1-[(5-nitrofuran-2-yl)methylideneamino]urea

HCID 243448

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Basic information

CAS: 52926-52-0
Standard SMILES: CCCCC(O)CN(N=Cc1ccc([N+](=O)[O-])o1)C(N)=O
InChIKey: FRLFOQIGGOTYHP-UHFFFAOYSA-N
Molecular formula: C12H18N4O5
Average molar mass: 298.3 g/mol
Monoisotopic mass: 298.12771969

Names & identifiers

Preferred name: 1-(2-Hydroxyhexyl)-1-[(5-nitrofuran-2-yl)methylideneamino]urea
IUPAC: 1-(2-hydroxyhexyl)-1-[(5-nitrofuran-2-yl)methylideneamino]urea

Names & synonyms

52926-52-01-(2-hydroxyhexyl)-1-[(5-nitrofuran-2-yl)methylideneamino]ureaDTXSID70287902DB-2905971-(2-HYDROXYHEXYL)-1-[(5-NITRO-2-FURYL)METHYLIDENEAMINO]UREA1-(2-Hydroxyhexyl)-2-[(5-nitrofuran-2-yl)methylidene]hydrazine-1-carboxamide

Database identifiers

CAS: 52926-52-0
PubChem CID: 243448
DTXSID: DTXSID70287902

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 138 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 21
Formal charge: 0
Complexity: 384

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