CAS
953753-01-0 Purity
96%
953753-01-0 Purity
96%
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Pyridinium,4-[2-[4-(didecylamino)phenyl]ethenyl]-1-methyl-,iodide(1:1)
CAS
95378-73-7
Catalog Number
ACM95378737
Category
Other Products
Molecular Weight
618.7184
Molecular Formula
C34H55N2.I
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Specification
Synonyms
4-(4-(DIDECYLAMINO)STYRYL)-N-METHYLPYRIDINIUM IODIDE;4-DI-10-ASP;4-DI-10-ASP IODIDE
IUPAC Name
N,N-didecyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;iodide
Canonical SMILES
CCCCCCCCCCN(CCCCCCCCCC)C1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)C.[I-]
InChI Key
PPAYPDQCRKDOKR-UHFFFAOYSA-M
Density
g/cm³
Exact Mass
618.34100
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula of the compound is C34H55IN2.
What is the synonym for the compound?
The synonym for the compound is 4-(4-(DIDECYLAMINO)STYRYL)-N-METHYLPYRIDINIUM IODIDE.
What is the molecular weight of the compound?
The molecular weight of the compound is 618.7 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is N,N-didecyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;iodide.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/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.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is CCCCCCCCCCN(CCCCCCCCCC)C1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)C.[I-].
What is the hydrogen bond donor count of the compound?
The hydrogen bond donor count of the compound is 0.
What is the hydrogen bond acceptor count of the compound?
The hydrogen bond acceptor count of the compound is 2.
What is the rotatable bond count of the compound?
The rotatable bond count of the compound is 21.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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