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N-Methyltaurine

CAT: 0572-TRC-M661240-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M661240-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
107-68-6
Synonyms
2-(Methylamino)ethanesulfonic Acid
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
CNCCS(=O)(=O)O
Molecular Formula
C3 H9 N O3 S
Molecular Weight
139.1735
InChI
InChI=1S/C3H9NO3S/c1-4-2-3-8(5,6)7/h4H,2-3H2,1H3,(H,5,6,7)
Additionnal Information
IUPAC name: 2-(methylamino)ethanesulfonic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

N-Methyltaurine

N-Methyltaurine is an organosulfonic acid.

CAS Number107-68-6
PubChem CID7882
IUPAC Name2-(methylamino)ethanesulfonic acid
Molecular FormulaC3H9NO3S
Molecular Weight139.18
XLogP-3.6
Topological Polar Surface Area74.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity133
SMILES
CNCCS(=O)(=O)O
InChI
InChI=1S/C3H9NO3S/c1-4-2-3-8(5,6)7/h4H,2-3H2,1H3,(H,5,6,7)
InChIKey
SUZRRICLUFMAQD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Methyltaurine
CAS: 107-68-6
CID: 7882
Formula: C3H9NO3S
MW: 139.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight139.18
XLogP3-3.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass139.03031432
Monoisotopic Mass139.03031432
Topological Polar Surface Area74.8 Ų
Heavy Atom Count8
Formal Charge0
Complexity133
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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