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115044-37-6 | Benzenecarboximidamide, 4,4'-[[2-[[4-(aminoiminomethyl)phenoxy]methyl]-2-ethyl-1,3-propanediyl]bis(oxy)]bis-
CAS No: 115044-37-6 Catalog No: AG000FR9 MDL No:
Product Description
Catalog Number:
AG000FR9
Chemical Name:
Benzenecarboximidamide, 4,4'-[[2-[[4-(aminoiminomethyl)phenoxy]methyl]-2-ethyl-1,3-propanediyl]bis(oxy)]bis-
CAS Number:
115044-37-6
Molecular Formula:
C27H32N6O3
Molecular Weight:
488.5814
IUPAC Name:
4-[4,6-bis(4-carbamimidoylphenoxy)hexoxy]benzenecarboximidamide
InChI:
InChI=1S/C27H32N6O3/c28-25(29)18-3-9-21(10-4-18)34-16-1-2-23(36-24-13-7-20(8-14-24)27(32)33)15-17-35-22-11-5-19(6-12-22)26(30)31/h3-14,23H,1-2,15-17H2,(H3,28,29)(H3,30,31)(H3,32,33)
InChI Key:
BUWWHPDJWUGBAN-UHFFFAOYSA-N
SMILES:
NN=Cc1ccc(cc1)OCC(COc1ccc(cc1)C(=N)N)(COc1ccc(cc1)C(=N)N)CC
Properties
Complexity:
696
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
488.254g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
488.592g/mol
Monoisotopic Mass:
488.254g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
177A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Photochemical control of network structure in gels and photo-induced changes in their viscoelastic properties. | Colloids and surfaces. B, Biointerfaces 20070415 |
| Aromatic polyamidines inhibiting the Tat-induced HIV-1 transcription recognize structured TAR-RNA. | Antisense & nucleic acid drug development 20010801 |
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