| CAS Number | 1332528-33-2 |
| Catalog Number | AG00HST6(AGN-PC-0WB6PR) |
| Chemical Name | 3-Amino-1,7-dimethylindolin-2-one hydrochloride |
| IUPAC Name | 3-amino-1,7-dimethyl-3H-indol-2-one;hydrochloride |
| InChI | InChI=1S/C10H12N2O.ClH/c1-6-4-3-5-7-8(11)10(13)12(2)9(6)7;/h3-5,8H,11H2,1-2H3;1H |
| InChI Key | WYWDOYTVWFIKFM-UHFFFAOYSA-N |
| MDL Number | MFCD18071319 |
| Molecular Formula | C10H13ClN2O |
| Molecular Weight | 212.6760 |
| SMILES | N1(C)C2=C(C)C=CC=C2C(N)C1=O.Cl |
| Synonyms | 1332528-33-2,
3-AMINO-1,7-DIMETHYL-1,3-DIHYDRO-2H-INDOL-2-ONE HYDROCHLORIDE,
3-Amino-1,7-dimethylindolin-2-one hydrochloride,
ZX-CM009538,
MFCD18071319,
AKOS027426371,
T4335,
3-amino-1,7-dimethyl-3H-indol-2-one hydrochloride,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.677g/mol |
| Monoisotopic Mass | 212.072g/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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