| CAS Number | 81784-48-7 |
| Catalog Number | AG01DWON(AGN-PC-0WCTZF) |
| Chemical Name | 3,6-dimethyl-1H-indole |
| IUPAC Name | 3,6-dimethyl-1H-indole |
| InChI | InChI=1S/C10H11N/c1-7-3-4-9-8(2)6-11-10(9)5-7/h3-6,11H,1-2H3 |
| InChI Key | REQGRJQLONTTLF-UHFFFAOYSA-N |
| MDL Number | MFCD19217438 |
| Molecular Formula | C10H11N |
| Molecular Weight | 145.2010 |
| SMILES | CC1C2=C(C=C(C=C2)C)NC=1 |
| Synonyms | 3,6-dimethyl-1H-indole,
81784-48-7,
1H-Indole, 3,6-dimethyl-,
SCHEMBL12352,
REQGRJQLONTTLF-UHFFFAOYSA-N,
FCH951782,
ZINC82587514,
AKOS006348557,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 145.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 145.205g/mol |
| Monoisotopic Mass | 145.089g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 15.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number