Catalog Number |
ACM38880589-1 |
CAS |
38880-58-9 |
Structure |
|
Synonyms |
NDSB-211 |
IUPAC Name |
2-Hydroxyethyl-dimethyl-(3-sulfopropyl)azanium hydroxide |
Molecular Weight |
211.28 |
Molecular Formula |
C7H17NO4S |
Canonical SMILES |
C[N+](C)(CCCS(=O)(=O)[O-])CCO |
InChI |
InChI=1S/C7H17NO4S/c1-8(2,5-6-9)4-3-7-13(10,11)12/h9H,3-7H2,1-2H3 |
InChI Key |
CNXPCGBLGHKAIL-UHFFFAOYSA-N |
Melting Point |
246-250 °C |
Purity |
98% |
Complexity |
216 |
Covalently-Bonded Unit Count |
1 |
Defined Atom Stereocenter Count |
0 |
Exact Mass |
211.0878292 |
Heavy Atom Count |
13 |
Hydrogen Bond Acceptor Count |
4 |
Hydrogen Bond Donor Count |
1 |
Monoisotopic Mass |
211.0878292 |
Physical State |
Solid |
Rotatable Bond Count |
5 |
Topological Polar Surface Area |
85.8 Ų |
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