Home Sulfos 3-(N-Boc-amino)-1-propanesulfonic acid

3-(N-Boc-amino)-1-propanesulfonic acid

CAS No.:
918825-10-2
Catalog Number:
AG006B98
Molecular Formula:
C8H17NO5S
Molecular Weight:
239.2893
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$221
- +
Product Description
Catalog Number:
AG006B98
Chemical Name:
3-(N-Boc-amino)-1-propanesulfonic acid
CAS Number:
918825-10-2
Molecular Formula:
C8H17NO5S
Molecular Weight:
239.2893
MDL Number:
MFCD09037856
IUPAC Name:
3-[(2-methylpropan-2-yl)oxycarbonylamino]propane-1-sulfonic acid
InChI:
InChI=1S/C8H17NO5S/c1-8(2,3)14-7(10)9-5-4-6-15(11,12)13/h4-6H2,1-3H3,(H,9,10)(H,11,12,13)
InChI Key:
XUOPCLRTJSMNFU-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCCS(=O)(=O)O
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.083g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
239.286g/mol
Monoisotopic Mass:
239.083g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties