| CAS Number | 939758-72-2 |
| Catalog Number | AG01C4Z7 |
| Chemical Name | 1,2,3,4-Tetrahydroquinoline-5-carbonitrile |
| IUPAC Name | 1,2,3,4-tetrahydroquinoline-5-carbonitrile |
| InChI | InChI=1S/C10H10N2/c11-7-8-3-1-5-10-9(8)4-2-6-12-10/h1,3,5,12H,2,4,6H2 |
| InChI Key | ZAEOGUPVWLRFEK-UHFFFAOYSA-N |
| MDL Number | MFCD08544265 |
| Molecular Formula | C10H10N2 |
| Molecular Weight | 158.1998 |
| SMILES | N1CCCC=2C(=CC=CC12)C#N |
| Synonyms | 1,2,3,4-tetrahydroquinoline-5-carbonitrile,
939758-72-2,
SCHEMBL20571510,
ZINC8699728,
AKOS024051354,
Z2418194282,
5-Quinolinecarbonitrile, 1,2,3,4-tetrahydro,
1,2,3,4-Tetrahydro-quinoline-5-carbonitrile 1HCl salt,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.204g/mol |
| Monoisotopic Mass | 158.084g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number