3-Desacetylpipecuronium

Base Information

• Chemical Name: 3-Desacetylpipecuronium
• CAS No.: 121935-02-2
• Molecular Formula: C33H60 N4 O3
• Molecular Weight: 560.8545
• Mol file: 121935-02-2.mol

Synonyms:3-desacetylpipecuronium;3-DESPIP

Chemical Property of 3-Desacetylpipecuronium

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 560.46654179
• Heavy Atom Count: 40
• Complexity: 951

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OC1C(CC2C1(CCC3C2CCC4C3(CC(C(C4)O)N5CC[N+](CC5)(C)C)C)C)N6CC[N+](CC6)(C)C
• Isomeric SMILES: CC(=O)O[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)N5CC[N+](CC5)(C)C)C)C)N6CC[N+](CC6)(C)C