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6004-24-6 | Cetylpyridinium chloride monohydrate
CAS No: 6004-24-6 Catalog No: AG003EDV MDL No:MFCD00149977
Product Description
Catalog Number:
AG003EDV
Chemical Name:
Cetylpyridinium chloride monohydrate
CAS Number:
6004-24-6
Molecular Formula:
C21H40ClNO
Molecular Weight:
358.0014
MDL Number:
MFCD00149977
IUPAC Name:
1-hexadecylpyridin-1-ium;chloride;hydrate
InChI:
InChI=1S/C21H38N.ClH.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H;1H2/q+1;;/p-1
InChI Key:
NFCRBQADEGXVDL-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-].O
UNII:
D9OM4SK49P
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.28g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
358.007g/mol
Monoisotopic Mass:
357.28g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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