| CAS Number | 923130-51-2 |
| Catalog Number | AG019Q09(AGN-PC-0WOB36) |
| Chemical Name | decahydroisoquinoline-2-sulfonyl chloride |
| IUPAC Name | 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-sulfonyl chloride |
| InChI | InChI=1S/C9H16ClNO2S/c10-14(12,13)11-6-5-8-3-1-2-4-9(8)7-11/h8-9H,1-7H2 |
| InChI Key | UXYLNEDQPMFVRY-UHFFFAOYSA-N |
| MDL Number | MFCD08444923 |
| Molecular Formula | C9H16ClNO2S |
| Molecular Weight | 237.7468 |
| SMILES | ClS(N1CC2C(CCCC2)CC1)(=O)=O |
| Synonyms | decahydroisoquinoline-2-sulfonyl chloride,
octahydroisoquinoline-2(1H)-sulfonyl chloride,
923130-51-2,
AC1Q3VQ7,
AKOS009113487,
NE44379,
EN300-86804,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.742g/mol |
| Monoisotopic Mass | 237.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number