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68989-01-5 | Quaternary ammonium compounds, benzyl-C12-18-alkyldimethyl, salts with 1,2-benzisothiazol-3(2H)-one 1,1-dioxide (1
CAS No: 68989-01-5 Catalog No: AG00FCSY MDL No:
Product Description
Catalog Number:
AG00FCSY
Chemical Name:
Quaternary ammonium compounds, benzyl-C12-18-alkyldimethyl, salts with 1,2-benzisothiazol-3(2H)-one 1,1-dioxide (1
CAS Number:
68989-01-5
IUPAC Name:
benzyl-dimethyl-tetradecylazanium;1,1-dioxo-1,2-benzothiazol-3-olate
InChI:
InChI=1S/C23H42N.C7H5NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;9-7-5-3-1-2-4-6(5)12(10,11)8-7/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1-4H,(H,8,9)/q+1;/p-1
InChI Key:
VGTOUOZCVUBDBV-UHFFFAOYSA-M
EC Number:
273-545-7
UNII:
Q3NHK36BKL
Properties
Complexity:
579
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
514.323g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
514.769g/mol
Monoisotopic Mass:
514.323g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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