| CAS Number | 881041-82-3 |
| Catalog Number | AG00IEZ1(AGN-PC-0WOJTS) |
| Chemical Name | 2-(3,4-Dimethylphenyl)-6-ethylindolizine |
| IUPAC Name | 2-(3,4-dimethylphenyl)-6-ethylindolizine |
| InChI | InChI=1S/C18H19N/c1-4-15-6-8-18-10-17(12-19(18)11-15)16-7-5-13(2)14(3)9-16/h5-12H,4H2,1-3H3 |
| InChI Key | IQXSPRVDBPWCAU-UHFFFAOYSA-N |
| MDL Number | MFCD06653521 |
| Molecular Formula | C18H19N |
| Molecular Weight | 249.3502 |
| SMILES | CCc1ccc2n(c1)cc(c2)c1ccc(c(c1)C)C |
| Synonyms | 2-(3,4-dimethylphenyl)-6-ethylindolizine,
881041-82-3,
MIX-0504,
ZINC4237816,
BBL021161,
KM4239,
STK893867,
AKOS001476851,
MCULE-5262543780,
NCGC00335747-01,
AB01328582-02,
AC1NFXEF,
ZINC04237816,
CID4715409,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.15175g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.3g/mol |
| Monoisotopic Mass | 249.15175g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 4.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number