Defluina

Base Information

• Chemical Name: Defluina
• CAS No.: 52623-83-3
• Molecular Formula: C35 H41 N5 O5 . C33 H37 N5 O5 . C21 H24 N2 O3 . C H4 O3 S . C H4 O3 S
• Molecular Weight: 1740.07
• Mol file: 52623-83-3.mol

Synonyms:Defluina;52623-83-3;LS-99763;C35H41N5O5.C33H37N5O5.C21H24N2O3.CH4O3S.CH4O3S;C35-H41-N5-O5.C33-H37-N5-O5.C21-H24-N2-O3.C-H4-O3-S.C-H4-O3-S

Chemical Property of Defluina

Chemical Property:

• Boiling Point: 899.3°Cat760mmHg
• Flash Point: 497.7°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 11
• Exact Mass: 1738.74516167
• Heavy Atom Count: 124
• Complexity: 3070

Purity/Quality:

DEFLUINA 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45.CC(C)C1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C.CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O.CS(=O)(=O)O
• Isomeric SMILES: C[C@H]1[C@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC=CC=C45.CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C.C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C.CS(=O)(=O)O.CS(=O)(=O)O