4,4'-(1,2-Ethanediylbis(oxy))bis-benzenecarboximidamide

HCID 147654

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 121324-47-8
Standard SMILES: N=C(N)c1ccc(OCCOc2ccc(C(=N)N)cc2)cc1
InChIKey: PWLGDGGFMJVYHP-UHFFFAOYSA-N
Molecular formula: C16H18N4O2
Average molar mass: 298.34 g/mol
Monoisotopic mass: 298.14297583

Names & identifiers

Preferred name: 4,4'-(1,2-Ethanediylbis(oxy))bis-benzenecarboximidamide
IUPAC: 4-[2-(4-carbamimidoylphenoxy)ethoxy]benzenecarboximidamide

Names & synonyms

4,4'-(1,2-Ethanediylbis(oxy))bis-benzenecarboximidamide121324-47-84-[2-(4-carbamimidoylphenoxy)ethoxy]benzenecarboximidamideCHEMBL1204158CHEMBL228431,2-Di(4-amidinophenoxy)ethaneDTXSID40153226BDBM503680974-[2-(4-carbamimidoylphenoxy)ethoxy]benzamidine4,4'-[Ethane-1,2-diylbis(oxy)]di(benzene-1-carboximidamide)

Database identifiers

CAS: 121324-47-8
PubChem CID: 147654
DTXSID: DTXSID40153226
ChEMBL: CHEMBL1204158、CHEMBL22843
Nikkaji: J291.987G

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 118 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 22
Formal charge: 0
Complexity: 336

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…