5-Nitro-2-furaldehyde(2-dimethylaminoethyl)semicarbazone

HCID 221608CAS 5580-25-6

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Basic information

Standard SMILES: CN(C)CCN(N=Cc1ccc([N+](=O)[O-])o1)C(N)=O
InChIKey: BUNREPSQNJXLTH-UHFFFAOYSA-N
Molecular formula: C10H15N5O4
Average molar mass: 269.26 g/mol
Monoisotopic mass: 269.11240398

Names & identifiers

Preferred name: 5-Nitro-2-furaldehyde(2-dimethylaminoethyl)semicarbazone
IUPAC: 1-[2-(dimethylamino)ethyl]-1-[(5-nitrofuran-2-yl)methylideneamino]urea

Names & synonyms

5-Nitro-2-furaldehyde(2-dimethylaminoethyl)semicarbazoneSCHEMBL2107794DTXSID70863568NS001205341-[2-(Dimethylamino)ethyl]-2-[(5-nitrofuran-2-yl)methylidene]hydrazine-1-carboxamide

Database identifiers

CAS: 5580-25-6
PubChem CID: 221608
DTXSID: DTXSID70863568

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 121 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 354

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