| CAS Number | 1009164-46-8 |
| Catalog Number | AG019NTM |
| Chemical Name | 2-(Butane-1-sulfonamido)propanoic acid |
| IUPAC Name | 2-(butylsulfonylamino)propanoic acid |
| InChI | InChI=1S/C7H15NO4S/c1-3-4-5-13(11,12)8-6(2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10) |
| InChI Key | OZSRHFORCGVPJI-UHFFFAOYSA-N |
| MDL Number | MFCD06369133 |
| Molecular Formula | C7H15NO4S |
| Molecular Weight | 209.2633 |
| SMILES | CCCCS(NC(C(O)=O)C)(=O)=O |
| Synonyms | 2-(butane-1-sulfonamido)propanoic acid,
2-[(butylsulfonyl)amino]propanoic acid,
1009164-46-8,
(2s)-2-(butane-1-sulfonamido)propanoic acid,
1212101-61-5,
2-(butylsulfonylamino)propanoic Acid,
AC1NLPII,
AC1Q2XLI,
SCHEMBL5122363,
CTK6E3731,
AKOS000264532,
AKOS017264115,
MCULE-2667797013,
NE37131,
NCGC00323347-01,
EN300-11763,
AB01318268-02,
2-[(butylsulfonyl)amino]propanoic acid, AldrichCPR,
Z45674833,
CID4961700,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.26g/mol |
| Monoisotopic Mass | 209.072g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number