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114601-70-6 | 1-Piperidinyloxy, 4-(ethyldimethylammonio)-2,2,6,6-tetramethyl-, iodide (9CI)
CAS No: 114601-70-6 Catalog No: AG000ESL MDL No:
Product Description
Catalog Number:
AG000ESL
Chemical Name:
1-Piperidinyloxy, 4-(ethyldimethylammonio)-2,2,6,6-tetramethyl-, iodide (9CI)
CAS Number:
114601-70-6
Molecular Formula:
C13H28IN2O+
Molecular Weight:
355.2787
IUPAC Name:
ethyl-(1-iodooxy-2,2,6,6-tetramethylpiperidin-4-yl)-dimethylazanium
InChI:
InChI=1S/C13H28IN2O/c1-8-16(6,7)11-9-12(2,3)15(17-14)13(4,5)10-11/h11H,8-10H2,1-7H3/q+1
InChI Key:
HQUGUXHEWDCRTD-UHFFFAOYSA-N
SMILES:
CC[N+](C1CC(C)(C)N(C(C1)(C)C)OI)(C)C
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.125g/mol
Formal Charge:
1
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.284g/mol
Monoisotopic Mass:
355.125g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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