Presocyl

Base Information

• Chemical Name: Presocyl
• CAS No.: 78456-99-2
• Molecular Formula: C48H62ClN3O9
• Molecular Weight: 860.4736
• Mol file: 78456-99-2.mol

Synonyms:presocyl

Chemical Property of Presocyl

Chemical Property:

• Boiling Point: 570.6°Cat760mmHg
• Flash Point: 313°C
• PSA: 186.59000
• Density: g/cm³
• LogP: 7.75130
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 13
• Exact Mass: 859.4174583
• Heavy Atom Count: 61
• Complexity: 1240

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.CC(=O)OC1=CC=CC=C1C(=O)O.CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O
• Isomeric SMILES: CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.CC(=O)OC1=CC=CC=C1C(=O)O.C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O