| CAS Number | 1307585-11-0 |
| Catalog Number | AG01C415 |
| Chemical Name | (3R)-N-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
| IUPAC Name | (3R)-N-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
| InChI | InChI=1S/C12H16N2O/c1-2-13-12(15)11-7-9-5-3-4-6-10(9)8-14-11/h3-6,11,14H,2,7-8H2,1H3,(H,13,15)/t11-/m1/s1 |
| InChI Key | JLBQKJXQPPFPJI-LLVKDONJSA-N |
| MDL Number | MFCD14696994 |
| Molecular Formula | C12H16N2O |
| Molecular Weight | 204.2682 |
| SMILES | CCNC([C@@H]1NCC2=C(C=CC=C2)C1)=O |
| Synonyms | (3R)-N-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide,
1307585-11-0,
ZINC19475265,
AKOS010392724,
Z2753281641,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.273g/mol |
| Monoisotopic Mass | 204.126g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number