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161776-23-4 | 1-Piperidinyloxy, 4-(dimethyloctylammonio)-2,2,6,6-tetramethyl-, iodide (1:1)
CAS No: 161776-23-4 Catalog No: AG001VV5 MDL No:
Product Description
Catalog Number:
AG001VV5
Chemical Name:
1-Piperidinyloxy, 4-(dimethyloctylammonio)-2,2,6,6-tetramethyl-, iodide (1:1)
CAS Number:
161776-23-4
Molecular Formula:
C19H40IN2O+
Molecular Weight:
439.4382
IUPAC Name:
(1-iodooxy-2,2,6,6-tetramethylpiperidin-4-yl)-dimethyl-octylazanium
InChI:
InChI=1S/C19H40IN2O/c1-8-9-10-11-12-13-14-22(6,7)17-15-18(2,3)21(23-20)19(4,5)16-17/h17H,8-16H2,1-7H3/q+1
InChI Key:
BBKFGPKTUCLAIF-UHFFFAOYSA-N
SMILES:
CCCCCCCC[N+](C1CC(C)(C)N(C(C1)(C)C)OI)(C)C
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.219g/mol
Formal Charge:
1
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
439.446g/mol
Monoisotopic Mass:
439.219g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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