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161308-36-7 | 1-Piperazinebutanesulfonic acid, 4-(2-hydroxyethyl)-
CAS No: 161308-36-7 Catalog No: AG001SBF MDL No:MFCD00677124
Product Description
Catalog Number:
AG001SBF
Chemical Name:
1-Piperazinebutanesulfonic acid, 4-(2-hydroxyethyl)-
CAS Number:
161308-36-7
Molecular Formula:
C10H22N2O4S
Molecular Weight:
266.3577
MDL Number:
MFCD00677124
IUPAC Name:
4-[4-(2-hydroxyethyl)piperazin-1-yl]butane-1-sulfonic acid
InChI:
InChI=1S/C10H22N2O4S/c13-9-8-12-6-4-11(5-7-12)3-1-2-10-17(14,15)16/h13H,1-10H2,(H,14,15,16)
InChI Key:
LOJNFONOHINEFI-UHFFFAOYSA-N
SMILES:
OCCN1CCN(CC1)CCCCS(=O)(=O)O
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.13g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.356g/mol
Monoisotopic Mass:
266.13g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
89.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.3
Literature
| Title | Journal |
|---|---|
| Olopatadine suppresses the migration of THP-1 monocytes induced by S100A12 protein. | Mediators of inflammation 20060101 |
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