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16045-14-0 | 1,4-Piperazinedibutanesulfonic acid
CAS No: 16045-14-0 Catalog No: AG001RXL MDL No:MFCD01317866
Product Description
Catalog Number:
AG001RXL
Chemical Name:
1,4-Piperazinedibutanesulfonic acid
CAS Number:
16045-14-0
Molecular Formula:
C12H26N2O6S2
Molecular Weight:
358.4746
MDL Number:
MFCD01317866
IUPAC Name:
4-[4-(4-sulfobutyl)piperazin-1-yl]butane-1-sulfonic acid
InChI:
InChI=1S/C12H26N2O6S2/c15-21(16,17)11-3-1-5-13-7-9-14(10-8-13)6-2-4-12-22(18,19)20/h1-12H2,(H,15,16,17)(H,18,19,20)
InChI Key:
OBCXLYATNJKYMT-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)CCCCN1CCN(CC1)CCCCS(=O)(=O)O
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.123g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
358.468g/mol
Monoisotopic Mass:
358.123g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.3
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