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125028-98-0 | 1-Decanaminium, N-decyl-N-(2,3-dihydroxypropyl)-N-methyl-, chloride (1:1)
CAS No: 125028-98-0 Catalog No: AG000N0J MDL No:
Product Description
Catalog Number:
AG000N0J
Chemical Name:
1-Decanaminium, N-decyl-N-(2,3-dihydroxypropyl)-N-methyl-, chloride (1:1)
CAS Number:
125028-98-0
Molecular Formula:
C24H52ClNO2
Molecular Weight:
422.1282
IUPAC Name:
didecyl-(2,3-dihydroxypropyl)-methylazanium;chloride
InChI:
InChI=1S/C24H52NO2.ClH/c1-4-6-8-10-12-14-16-18-20-25(3,22-24(27)23-26)21-19-17-15-13-11-9-7-5-2;/h24,26-27H,4-23H2,1-3H3;1H/q+1;/p-1
InChI Key:
YIUOWBMOGWJZIM-UHFFFAOYSA-M
SMILES:
CCCCCCCCCC[N+](CC(CO)O)(CCCCCCCCCC)C.[Cl-]
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.369g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
422.135g/mol
Monoisotopic Mass:
421.369g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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