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Home > Pyridines > 918302-80-4
918302-80-4 | Pyridine, 3-[13-[(1Z)-oxido-2-[12-(3-pyridinyl)dodecyl]diazenyl]tridecyl]-
CAS No: 918302-80-4 Catalog No: AG006GI1 MDL No:
Product Description
Catalog Number:
AG006GI1
Chemical Name:
Pyridine, 3-[13-[(1Z)-oxido-2-[12-(3-pyridinyl)dodecyl]diazenyl]tridecyl]-
CAS Number:
918302-80-4
Molecular Formula:
C35H57N4O-
Molecular Weight:
549.8533
IUPAC Name:
1-pyridin-3-yl-12-(13-pyridin-3-yltridecyldiazenyl)dodecan-1-olate
InChI:
InChI=1S/C35H57N4O/c40-35(34-25-22-28-37-32-34)26-18-14-10-6-4-8-12-16-20-30-39-38-29-19-15-11-7-3-1-2-5-9-13-17-23-33-24-21-27-36-31-33/h21-22,24-25,27-28,31-32,35H,1-20,23,26,29-30H2/q-1
InChI Key:
DYGSGEIJWWBSEV-UHFFFAOYSA-N
SMILES:
[O-]C(c1cccnc1)CCCCCCCCCCC/N=N\CCCCCCCCCCCCCc1cccnc1
Properties
Complexity:
558
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
549.453g/mol
Formal Charge:
-1
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
549.868g/mol
Monoisotopic Mass:
549.453g/mol
Rotatable Bond Count:
27
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
12.3
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