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2315-40-4 | Pyridinium, 1-hexadecyl-4-methyl-, bromide (1:1)
CAS No: 2315-40-4 Catalog No: AG002MDI MDL No:
Product Description
Catalog Number:
AG002MDI
Chemical Name:
Pyridinium, 1-hexadecyl-4-methyl-, bromide (1:1)
CAS Number:
2315-40-4
Molecular Formula:
C22H40BrN
Molecular Weight:
398.4637
IUPAC Name:
1-hexadecyl-4-methylpyridin-1-ium;bromide
InChI:
InChI=1S/C22H40N.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-20-17-22(2)18-21-23;/h17-18,20-21H,3-16,19H2,1-2H3;1H/q+1;/p-1
InChI Key:
UFXSTPIFUFQVRP-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCC[n+]1ccc(cc1)C.[Br-]
UNII:
375671GIKB
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.234g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.473g/mol
Monoisotopic Mass:
397.234g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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