| CAS Number | 17901-63-2 |
| Catalog Number | AG01A3TH(AGN-PC-0GB2NQ) |
| Chemical Name | 3-ethyl-2-propyl-1H-indole |
| IUPAC Name | 3-ethyl-2-propyl-1H-indole |
| InChI | InChI=1S/C13H17N/c1-3-7-12-10(4-2)11-8-5-6-9-13(11)14-12/h5-6,8-9,14H,3-4,7H2,1-2H3 |
| InChI Key | ZBCKFPVSLNTUKR-UHFFFAOYSA-N |
| MDL Number | MFCD21188793 |
| Molecular Formula | C13H17N |
| Molecular Weight | 187.2808 |
| SMILES | CCCC1=C(CC)C2=C(C=CC=C2)N1 |
| Synonyms | 3-ethyl-2-propyl-1H-indole,
17901-63-2,
3-ethyl-2-propylindole,
SCHEMBL20281778,
ZINC83728781,
AKOS014670576,
MCULE-3516491252,
NE21813,
Z1556995020,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.286g/mol |
| Monoisotopic Mass | 187.136g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 15.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number