| CAS Number | 1311313-86-6 |
| Catalog Number | AG01AHGL(AGN-PC-0WOQTE) |
| Chemical Name | 3-amino-1,5-dimethyl-2,3-dihydro-1H-indol-2-one dihydrochloride |
| IUPAC Name | 3-amino-1,5-dimethyl-3H-indol-2-one;dihydrochloride |
| InChI | InChI=1S/C10H12N2O.2ClH/c1-6-3-4-8-7(5-6)9(11)10(13)12(8)2;;/h3-5,9H,11H2,1-2H3;2*1H |
| InChI Key | FYYXADPKTWFPHN-UHFFFAOYSA-N |
| MDL Number | MFCD18483329 |
| Molecular Formula | C10H14Cl2N2O |
| Molecular Weight | 249.1370 |
| SMILES | Cl.Cl.CN1C2=C(C=C(C=C2)C)C(N)C1=O |
| Synonyms | 3-amino-1,5-dimethyl-2,3-dihydro-1H-indol-2-one dihydrochloride,
1311313-86-6,
AKOS008126235,
MCULE-3481082999,
NE16340,
EN300-74685,
Z1266933870,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.135g/mol |
| Monoisotopic Mass | 248.048g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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