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30680-88-7 | Piperidine, 2,2,6,6-tetramethyl-, 4-methylbenzenesulfonate (1:1)
CAS No: 30680-88-7 Catalog No: AG0030SV MDL No:
Product Description
Catalog Number:
AG0030SV
Chemical Name:
Piperidine, 2,2,6,6-tetramethyl-, 4-methylbenzenesulfonate (1:1)
CAS Number:
30680-88-7
Molecular Formula:
C16H27NO3S
Molecular Weight:
313.4555
IUPAC Name:
4-methylbenzenesulfonic acid;2,2,6,6-tetramethylpiperidine
InChI:
InChI=1S/C9H19N.C7H8O3S/c1-8(2)6-5-7-9(3,4)10-8;1-6-2-4-7(5-3-6)11(8,9)10/h10H,5-7H2,1-4H3;2-5H,1H3,(H,8,9,10)
InChI Key:
YKKDFXKIOBJFNT-UHFFFAOYSA-N
SMILES:
CC1(C)CCCC(N1)(C)C.Cc1ccc(cc1)S(=O)(=O)O
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.171g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
313.456g/mol
Monoisotopic Mass:
313.171g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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