| CAS Number | 106110-60-5 |
| Catalog Number | AG01BB8J(AGN-PC-0KP5NI) |
| Chemical Name | 1-[2-(dimethylamino)ethyl]-2,3-dihydro-1h-indole-2,3-dione |
| IUPAC Name | 1-[2-(dimethylamino)ethyl]indole-2,3-dione |
| InChI | InChI=1S/C12H14N2O2/c1-13(2)7-8-14-10-6-4-3-5-9(10)11(15)12(14)16/h3-6H,7-8H2,1-2H3 |
| InChI Key | XDKUHUFHXZYBCV-UHFFFAOYSA-N |
| MDL Number | MFCD00455172 |
| Molecular Formula | C12H14N2O2 |
| Molecular Weight | 218.2518 |
| SMILES | O=C1N(CCN(C)C)C2=C(C=CC=C2)C1=O |
| Synonyms | 1-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indole-2,3-dione,
106110-60-5,
BAS 00183949,
AC1MJM70,
SCHEMBL4205713,
ZINC2024905,
AKOS000245314,
CCG-103276,
1-(2-dimethylaminoethyl)indole-2,3-dione,
EU-0000256,
1-(2-Dimethylamino-ethyl)-1H-indole-2,3-dione,
1-[2-(dimethylamino)ethyl]-1H-indole-2,3-dione,
Z361299936,
CID3094190,
|
| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.256g/mol |
| Monoisotopic Mass | 218.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number