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116833-23-9 | 1-Piperazinesulfonic acid, 4-methyl-
CAS No: 116833-23-9 Catalog No: AG000DAA MDL No:
Product Description
Catalog Number:
AG000DAA
Chemical Name:
1-Piperazinesulfonic acid, 4-methyl-
CAS Number:
116833-23-9
Molecular Formula:
C5H12N2O3S
Molecular Weight:
180.2254
IUPAC Name:
4-methylpiperazine-1-sulfonic acid
InChI:
InChI=1S/C5H12N2O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H2,1H3,(H,8,9,10)
InChI Key:
GQPIVVPQPRWBML-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)S(=O)(=O)O
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.057g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.222g/mol
Monoisotopic Mass:
180.057g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.4
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