Home Sulfos N-Methyl-n-(methylsulfonyl)-beta-alanine

N-Methyl-n-(methylsulfonyl)-beta-alanine

CAS No.:
1158736-03-8
Catalog Number:
AG008VBI
Molecular Formula:
C5H11NO4S
Molecular Weight:
181.2101
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$289
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Product Description
Catalog Number:
AG008VBI
Chemical Name:
N-Methyl-n-(methylsulfonyl)-beta-alanine
CAS Number:
1158736-03-8
Molecular Formula:
C5H11NO4S
Molecular Weight:
181.2101
MDL Number:
MFCD11934935
IUPAC Name:
3-[methyl(methylsulfonyl)amino]propanoic acid
InChI:
InChI=1S/C5H11NO4S/c1-6(11(2,9)10)4-3-5(7)8/h3-4H2,1-2H3,(H,7,8)
InChI Key:
VEJPQJKBENJNFK-UHFFFAOYSA-N
SMILES:
OC(=O)CCN(S(=O)(=O)C)C
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.041g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.206g/mol
Monoisotopic Mass:
181.041g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
Properties