| CAS Number | 16886-00-3 |
| Catalog Number | AG00AS4R(AGN-PC-0NJB9F) |
| Chemical Name | 1H-Indole,3-(1-methylethyl)-(9CI) |
| IUPAC Name | 3-propan-2-yl-1H-indole |
| InChI | InChI=1S/C11H13N/c1-8(2)10-7-12-11-6-4-3-5-9(10)11/h3-8,12H,1-2H3 |
| InChI Key | ZFDQHODXVZRPFG-UHFFFAOYSA-N |
| MDL Number | MFCD18809041 |
| Molecular Formula | C11H13N |
| Molecular Weight | 159.2276 |
| SMILES | CC(C)C1=CNC2=CC=CC=C21 |
| Synonyms | 3-isopropyl-1H-indole,
16886-00-3,
3-isopropylindole,
3-(propan-2-yl)-1H-indole,
3-propan-2-yl-1H-indole,
3-Isopropylindol,
3-isopropyl indole,
SCHEMBL255420,
ZFDQHODXVZRPFG-UHFFFAOYSA-N,
ZINC37625182,
AKOS027399990,
1H-Indole,3-(1-methylethyl)-(9CI),
Z2469921490,
1H-Indole, 3-(1-methylethyl)- (9CI),
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 159.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 159.232g/mol |
| Monoisotopic Mass | 159.105g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 15.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number