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7575-45-3 | Pyridinium, 1-[(octadecyloxy)methyl]-, chloride
CAS No: 7575-45-3 Catalog No: AG005IF1 MDL No:
Product Description
Catalog Number:
AG005IF1
Chemical Name:
Pyridinium, 1-[(octadecyloxy)methyl]-, chloride
CAS Number:
7575-45-3
Molecular Formula:
C24H44ClNO
Molecular Weight:
398.0653
IUPAC Name:
1-(octadecoxymethyl)pyridin-1-ium;chloride
InChI:
InChI=1S/C24H44NO.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26-24-25-21-18-17-19-22-25;/h17-19,21-22H,2-16,20,23-24H2,1H3;1H/q+1;/p-1
InChI Key:
PUMIBBNWDCWIKR-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCCCCOC[n+]1ccccc1.[Cl-]
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.311g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.072g/mol
Monoisotopic Mass:
397.311g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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