| CAS Number | 351986-85-1 |
| Catalog Number | AG00CYV6(AGN-PC-0RAMGE) |
| Chemical Name | 3-Iodobenzaldehyde[4-(diphenylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]hydrazone |
| IUPAC Name | 2-N-[(E)-(3-iodophenyl)methylideneamino]-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine |
| InChI | InChI=1S/C26H24IN7O/c27-21-9-7-8-20(18-21)19-28-32-24-29-25(33-14-16-35-17-15-33)31-26(30-24)34(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-13,18-19H,14-17H2,(H,29,30,31,32)/b28-19+ |
| InChI Key | JMEJTSRAQUFNOP-TURZUDJPSA-N |
| MDL Number | MFCD00321410 |
| Molecular Formula | C26H24IN7O |
| Molecular Weight | 577.4195 |
| SMILES | Ic1cccc(c1)/C=N/Nc1nc(nc(n1)N(c1ccccc1)c1ccccc1)N1CCOCC1 |
| Synonyms | vacuolin-1,
Vacuolin-1,
351986-85-1,
3-Iodobenzaldehyde[4-(diphenylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]hydrazone,
4-[(2E)-2-(3-iodobenzylidene)hydrazinyl]-6-(morpholin-4-yl)-N,N-diphenyl-1,3,5-triazin-2-amine,
Probes1_000300,
Probes2_000506,
SCHEMBL20424314,
STK055590,
AKOS003671503,
RT-016208,
J-019992,
CBDivE_006006,
CID9661141,
C503870,
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| Complexity | 634 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 577.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 577.43g/mol |
| Monoisotopic Mass | 577.109g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 78.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number