| CAS Number | 1559062-09-7 |
| Catalog Number | AG00J314(AGN-PC-0WRAT0) |
| Chemical Name | 1-(1-Isopropyl-1,2,3,4-tetrahydroquinolin-6-yl)-N-methylmethanamine dioxalate |
| IUPAC Name | N-methyl-1-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)methanamine;oxalic acid |
| InChI | InChI=1S/C14H22N2.2C2H2O4/c1-11(2)16-8-4-5-13-9-12(10-15-3)6-7-14(13)16;2*3-1(4)2(5)6/h6-7,9,11,15H,4-5,8,10H2,1-3H3;2*(H,3,4)(H,5,6) |
| InChI Key | UMDPABRIQXMLHF-UHFFFAOYSA-N |
| MDL Number | MFCD27966335 |
| Molecular Formula | C18H26N2O8 |
| Molecular Weight | 398.4076 |
| SMILES | N1(C2C=CC(=CC=2CCC1)CNC)C(C)C.C(O)(=O)C(O)=O.C(O)(=O)C(O)=O |
| Synonyms | [(1-isopropyl-1,2,3,4-tetrahydro-6-quinolinyl)methyl]methylamine diethanedioate,
1559062-09-7,
1-(1-Isopropyl-1,2,3,4-tetrahydroquinolin-6-yl)-N-methylmethanamine dioxalate,
ZX-CM011150,
MFCD27966335,
A-7034,
|
| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 398.169g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 398.412g/mol |
| Monoisotopic Mass | 398.169g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 165A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number