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825619-20-3 | Piperazine, 1-[(3,4-diaminophenyl)sulfonyl]-4-methyl-
CAS No: 825619-20-3 Catalog No: AG004YLP MDL No:
Product Description
Catalog Number:
AG004YLP
Chemical Name:
Piperazine, 1-[(3,4-diaminophenyl)sulfonyl]-4-methyl-
CAS Number:
825619-20-3
Molecular Formula:
C11H18N4O2S
Molecular Weight:
270.3512
IUPAC Name:
4-(4-methylpiperazin-1-yl)sulfonylbenzene-1,2-diamine
InChI:
InChI=1S/C11H18N4O2S/c1-14-4-6-15(7-5-14)18(16,17)9-2-3-10(12)11(13)8-9/h2-3,8H,4-7,12-13H2,1H3
InChI Key:
QLABSMLWWPZYIE-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)S(=O)(=O)c1ccc(c(c1)N)N
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.115g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.351g/mol
Monoisotopic Mass:
270.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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