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102247-34-7 | Pyridinium, 4-[2-[4-(dimethylamino)phenyl]ethenyl]-1-hexadecyl-
CAS No: 102247-34-7 Catalog No: AG00070S MDL No:
Product Description
Catalog Number:
AG00070S
Chemical Name:
Pyridinium, 4-[2-[4-(dimethylamino)phenyl]ethenyl]-1-hexadecyl-
CAS Number:
102247-34-7
Molecular Formula:
C31H49N2+
Molecular Weight:
449.7342
IUPAC Name:
4-[2-(1-hexadecylpyridin-1-ium-4-yl)ethenyl]-N,N-dimethylaniline
InChI:
InChI=1S/C31H49N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-33-27-24-30(25-28-33)19-18-29-20-22-31(23-21-29)32(2)3/h18-25,27-28H,4-17,26H2,1-3H3/q+1
InChI Key:
ZDKRXBKIYXWTIR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC[n+]1ccc(cc1)C=Cc1ccc(cc1)N(C)C
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
449.39g/mol
Formal Charge:
1
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
449.747g/mol
Monoisotopic Mass:
449.39g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
7.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
11.1
Literature
| Title | Journal |
|---|---|
| A chromo- and fluorogenic sensor for probing the cancer biomarker lysophosphatidic acid. | The Analyst 20120421 |
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