| CAS Number | 20205-30-5 |
| Catalog Number | AG00280N(AGN-PC-03SVUA) |
| Chemical Name | 3H-Indolium, 1-butyl-2,3,3-trimethyl-, iodide (1:1) |
| IUPAC Name | 1-butyl-2,3,3-trimethylindol-1-ium;iodide |
| InChI | InChI=1S/C15H22N.HI/c1-5-6-11-16-12(2)15(3,4)13-9-7-8-10-14(13)16;/h7-10H,5-6,11H2,1-4H3;1H/q+1;/p-1 |
| InChI Key | IRFPZGGBKVIINP-UHFFFAOYSA-M |
| MDL Number | MFCD00222338 |
| Molecular Formula | C15H22IN |
| Molecular Weight | 343.2464 |
| SMILES | [I-].C(CCC)[N+]1=C(C(C2=CC=CC=C12)(C)C)C |
| Synonyms | 1-butyl-2,3,3-trimethyl-3H-indol-1-ium iodide,
20205-30-5,
3H-Indolium, 1-butyl-2,3,3-trimethyl-, iodide,
SCHEMBL6864478,
CHEMBL2393302,
CTK0J9242,
DTXSID10627181,
AKOS003632189,
MCULE-2064743034,
ST50543598,
1-butyl-2,3,3-trimethyl-3-hydroindole, iodide,
F1029-0077,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 343.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 343.252g/mol |
| Monoisotopic Mass | 343.08g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number