| CAS Number | 923794-39-2 |
| Catalog Number | AG019PIJ |
| Chemical Name | 1-(Chloroacetyl)-n,n-dimethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide |
| IUPAC Name | 1-(2-chloroacetyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide |
| InChI | InChI=1S/C13H17ClN2O3S/c1-15(2)20(18,19)11-5-6-12-10(8-11)4-3-7-16(12)13(17)9-14/h5-6,8H,3-4,7,9H2,1-2H3 |
| InChI Key | YPTPVOYNOCQADC-UHFFFAOYSA-N |
| MDL Number | MFCD08729201 |
| Molecular Formula | C13H17ClN2O3S |
| Molecular Weight | 316.8037 |
| SMILES | CN(S(C1=CC2=C(N(C(CCl)=O)CCC2)C=C1)(=O)=O)C |
| Synonyms | 1-(2-chloroacetyl)-N,N-dimethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide,
923794-39-2,
1-(chloroacetyl)-N,N-dimethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide,
AC1Q3X21,
CTK6H5011,
ZINC8939949,
AKOS030740091,
MCULE-7853291690,
NE44928,
UPCMLD0ENAT5739493:001,
EN300-23815,
|
| Complexity | 461 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.8g/mol |
| Monoisotopic Mass | 316.065g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number