| CAS Number | 1210-81-7 |
| Catalog Number | AG0096X4(AGN-PC-0MVPHS) |
| Chemical Name | 2-(5-chloro-2-methyl-1H-indol-3-yl)-N,N-dimethylethanamine |
| IUPAC Name | 2-(5-chloro-2-methyl-1H-indol-3-yl)-N,N-dimethylethanamine;oxalic acid |
| InChI | InChI=1S/C13H17ClN2.C2H2O4/c1-9-11(6-7-16(2)3)12-8-10(14)4-5-13(12)15-9;3-1(4)2(5)6/h4-5,8,15H,6-7H2,1-3H3;(H,3,4)(H,5,6) |
| InChI Key | FHSPBPPTDFRVGQ-UHFFFAOYSA-N |
| MDL Number | MFCD22683810 |
| Molecular Formula | C13H17ClN2 |
| Molecular Weight | 236.7405 |
| SMILES | N1C2=C(C=C(Cl)C=C2)C(CCN(C)C)=C1C |
| Synonyms | 2-(5-chloro-2-methyl-1H-indol-3-yl)-N,N-dimethylethanamine,
ST 1936,
ST-1936,
ST1936,
ST 1936 oxalate,
1210-81-7,
AKOS024458100,
J-004442,
5-Chloro-3-[2-(dimethylamino)ethyl]-2-methylindole oxalate,
2-(5-chloro-2-methyl-1H-indol-3-yl)-N,N-dimethylethanamine,
|
| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 326.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 326.777g/mol |
| Monoisotopic Mass | 326.103g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 93.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number