| CAS Number | 42835-88-1 |
| Catalog Number | AG019U1M(AGN-PC-0WO9PP) |
| Chemical Name | 2-Ethyl-1,2,3,4-tetrahydroquinoline |
| IUPAC Name | 2-ethyl-1,2,3,4-tetrahydroquinoline |
| InChI | InChI=1S/C11H15N/c1-2-10-8-7-9-5-3-4-6-11(9)12-10/h3-6,10,12H,2,7-8H2,1H3 |
| InChI Key | KBEJREJHQMPXJD-UHFFFAOYSA-N |
| MDL Number | MFCD18448583 |
| Molecular Formula | C11H15N |
| Molecular Weight | 161.2435 |
| SMILES | CCC1NC2=C(C=CC=C2)CC1 |
| Synonyms | 2-ethyl-1,2,3,4-tetrahydroquinoline,
42835-88-1,
2-ethyltetrahydroquinoline,
SCHEMBL4139663,
KBEJREJHQMPXJD-UHFFFAOYSA-N,
AKOS006372482,
1,2,3,4-Tetrahydro-2-ethylquinoline,
MCULE-9281546392,
NE16328,
Z1340493772,
2-Ethyl-1,2,3,4-tetrahydro-quinoline,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.248g/mol |
| Monoisotopic Mass | 161.12g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number