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CABS

CAT: 0013-GTR19247927-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19247927-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CABS is a zwitterionic piperazine buffering agent used as a wetting agent, pesticide emulsifier, and dispersant buffer. It has also been employed in fluorescence staining applications.
CAS Number
161308-34-5
Smiles
O=S (CCCCNC1CCCCC1) (O) =O
Molecular Formula
C10H21NO3S
Molecular Weight
235.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-(Cyclohexylamino)butane-1-sulfonic acid
CAS Number161308-34-5
PubChem CID11207078
IUPAC Name4-(cyclohexylamino)butane-1-sulfonic acid
Molecular FormulaC10H21NO3S
Molecular Weight235.35
XLogP-1.1
Topological Polar Surface Area74.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count15
Formal Charge0
Complexity252
SMILES
C1CCC(CC1)NCCCCS(=O)(=O)O
InChI
InChI=1S/C10H21NO3S/c12-15(13,14)9-5-4-8-11-10-6-2-1-3-7-10/h10-11H,1-9H2,(H,12,13,14)
InChIKey
XNPKNHHFCKSMRV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Cyclohexylamino)butane-1-sulfonic acid
CAS: 161308-34-5
CID: 11207078
Formula: C10H21NO3S
MW: 235.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight235.35
XLogP3-1.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass235.12421471
Monoisotopic Mass235.12421471
Topological Polar Surface Area74.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity252
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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