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4-Morpholineethanesulfonic Acid

CAT: 0572-TRC-M723775-50GSize: 50 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M723775-50GSize:50 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4432-31-9
Synonyms
3-(N-Morpholino)ethane Sulfonic Acid; MES
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
OS(=O)(=O)CCN1CCOCC1
Molecular Formula
C6 H13 N O4 S
Molecular Weight
195.24
InChI
InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)
Additionnal Information
IUPAC name: 2-morpholin-4-ylethanesulfonic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

4-Morpholineethanesulfonic acid

2-(N-morpholino)ethanesulfonic acid is an organosulfonic acid and a MES. It is a conjugate acid of a 2-(N-morpholino)ethanesulfonate. It is a tautomer of a 2-(N-morpholiniumyl)ethanesulfonate.

CAS Number4432-31-9
PubChem CID78165
IUPAC Name2-morpholin-4-ylethanesulfonic acid
Molecular FormulaC6H13NO4S
Molecular Weight195.24
XLogP-3.5
Topological Polar Surface Area75.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity214
SMILES
C1COCCN1CCS(=O)(=O)O
InChI
InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)
InChIKey
SXGZJKUKBWWHRA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Morpholineethanesulfonic acid
CAS: 4432-31-9
CID: 78165
Formula: C6H13NO4S
MW: 195.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight195.24
XLogP3-3.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass195.05652907
Monoisotopic Mass195.05652907
Topological Polar Surface Area75.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity214
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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