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CAS No.: | 95378-73-7 |
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Name: | 4-(4-(DIDECYLAMINO)STYRYL)-N-METHYLPYRIDINIUM IODIDE |
Molecular Structure: | |
Formula: | C34H55IN2 |
Molecular Weight: | 618.72 |
Synonyms: | 4-(4-(DIDECYLAMINO)STYRYL)-N-METHYLPYRIDINIUM IODIDE;4-DI-10-ASP;4-DI-10-ASP IODIDE |
PSA: | 7.12000 |
LogP: | 6.77330 |
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The Pyridinium,4-[2-[4-(didecylamino)phenyl]ethenyl]-1-methyl-, iodide (1:1) , with the CAS registry number 95378-73-7, is also known as 4-(4-(Didecylamino)styryl)-N-methylpyridinium iodide. This chemical's molecular formula is C34H55IN2 and molecular weight is 618.72. What's more, its systematic name is called 4-{(E)-2-[4-(Didecylamino)phenyl]ethenyl}-1-methylpyridinium iodide.
Physical properties about Pyridinium,4-[2-[4-(didecylamino)phenyl]ethenyl]-1-methyl-, iodide (1:1) are: (1)ACD/LogD (pH 5.5): 8.79; (2)ACD/LogD (pH 7.4): 9.09; (3)ACD/BCF (pH 5.5): 1000000; (4)ACD/BCF (pH 7.4): 1000000; (5)ACD/KOC (pH 5.5): 1041495.19; (6)ACD/KOC (pH 7.4): 2080102.38; (7)#H bond acceptors: 2; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 21
You can still convert the following datas into molecular structure:
(1) SMILES: [I-].c2(\C=C\c1cc[n+](cc1)C)ccc(N(CCCCCCCCCC)CCCCCCCCCC)cc2
(2) InChI: InChI=1/C34H55N2.HI/c1-4-6-8-10-12-14-16-18-28-36(29-19-17-15-13-11-9-7-5-2)34-24-22-32(23-25-34)20-21-33-26-30-35(3)31-27-33;/h20-27,30-31H,4-19,28-29H2,1-3H3;1H/q+1;/p-1
(3) InChIKey: PPAYPDQCRKDOKR-REWHXWOFAC