Coumamidine gamma1

Base Information

• Chemical Name: Coumamidine gamma1
• CAS No.: 121634-35-3
• Molecular Formula: C33H49 N13 O13
• Molecular Weight: 835.828
• Mol file: 121634-35-3.mol

Synonyms:coumamidine gamma(1);coumamidine gamma1

Chemical Property of Coumamidine gamma1

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 431.84000
• Density: 1.86g/cm³
• LogP: -0.73340
• XLogP3: -6.1
• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 13
• Exact Mass: 835.35727867
• Heavy Atom Count: 59
• Complexity: 1610

Purity/Quality:

99% ^*data from raw suppliers

COUMAMIDINE GAMMA1 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2=CC=C(C=C2)C=CC(=O)NCCC(=N)N)N=C(N)N)O)NC(=O)NC3C(C(C(CO3)OC4COC5C(C4O)N(C(=O)N5)C(=O)N)O)NC(=O)N
• Isomeric SMILES: CC1C(C(C(C(O1)OC2=CC=C(C=C2)/C=C/C(=O)NCCC(=N)N)N=C(N)N)O)NC(=O)NC3C(C(C(CO3)OC4COC5C(C4O)N(C(=O)N5)C(=O)N)O)NC(=O)N