| CAS Number | 1391426-24-6 |
| Catalog Number | AG01EOQW(AGN-PC-0WGD3T) |
| Chemical Name | Lys01 trihydrochloride |
| IUPAC Name | N-(7-chloroquinolin-4-yl)-N'-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N'-methylethane-1,2-diamine;trihydrochloride |
| InChI | InChI=1S/C23H23Cl2N5.3ClH/c1-30(12-10-28-20-6-8-26-22-14-16(24)2-4-18(20)22)13-11-29-21-7-9-27-23-15-17(25)3-5-19(21)23;;;/h2-9,14-15H,10-13H2,1H3,(H,26,28)(H,27,29);3*1H |
| InChI Key | JTUYDBHQGOZPQQ-UHFFFAOYSA-N |
| MDL Number | MFCD28963913 |
| Molecular Formula | C23H26Cl5N5 |
| Molecular Weight | 549.7510 |
| SMILES | CN(CCNC1=CC=NC2=CC(Cl)=CC=C12)CCNC3=CC=NC4=CC(Cl)=CC=C34.[H]Cl.[H]Cl.[H]Cl |
| Synonyms | Lys01,
Lys05,
Lys01 trihydrochloride,
Lys05,
1391426-24-6,
Lys01 (trihydrochloride),
Lys05(3HCl),
BCP20708,
HY-12855A,
s8369,
CS-6358,
AK00783578,
|
| Complexity | 480 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 549.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 549.746g/mol |
| Monoisotopic Mass | 547.063g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number