| CAS Number | 159884-46-5 |
| Catalog Number | AG01ABE5 |
| Chemical Name | 1-(2,2-diethoxyethyl)-1H-indole |
| IUPAC Name | 1-(2,2-diethoxyethyl)indole |
| InChI | InChI=1S/C14H19NO2/c1-3-16-14(17-4-2)11-15-10-9-12-7-5-6-8-13(12)15/h5-10,14H,3-4,11H2,1-2H3 |
| InChI Key | YUEGZKLHHPSXQY-UHFFFAOYSA-N |
| MDL Number | MFCD12974544 |
| Molecular Formula | C14H19NO2 |
| Molecular Weight | 233.3062 |
| SMILES | CCOC(OCC)CN1C2=C(C=CC=C2)C=C1 |
| Synonyms | 1-(2,2-diethoxyethyl)-1H-indole,
159884-46-5,
AC1Q35FK,
1-(2,2-diethoxyethyl)indole,
SCHEMBL7609525,
YUEGZKLHHPSXQY-UHFFFAOYSA-N,
ZINC44125866,
AKOS005263745,
NE15667,
EN300-71372,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.311g/mol |
| Monoisotopic Mass | 233.142g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 23.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number