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113893-20-2 | Pyridinium, 4-(9,9-dimethyldecyl)-1-methyl-, iodide (1:1)
CAS No: 113893-20-2 Catalog No: AG000A09 MDL No:
Product Description
Catalog Number:
AG000A09
Chemical Name:
Pyridinium, 4-(9,9-dimethyldecyl)-1-methyl-, iodide (1:1)
CAS Number:
113893-20-2
Molecular Formula:
C18H32IN
Molecular Weight:
389.3579
IUPAC Name:
4-(9,9-dimethyldecyl)-1-methylpyridin-1-ium;iodide
InChI:
InChI=1S/C18H32N.HI/c1-18(2,3)14-10-8-6-5-7-9-11-17-12-15-19(4)16-13-17;/h12-13,15-16H,5-11,14H2,1-4H3;1H/q+1;/p-1
InChI Key:
FEDRGQFVRCWNMC-UHFFFAOYSA-M
SMILES:
C[n+]1ccc(cc1)CCCCCCCCC(C)(C)C.[I-]
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.158g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.365g/mol
Monoisotopic Mass:
389.158g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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