Butylon

Base Information

• Chemical Name: Butylon
• CAS No.: 8067-11-6
• Molecular Formula: C55H64N10O11S
• Molecular Weight: 1073.2221
• Mol file: 8067-11-6.mol

Synonyms:bucetin, caffeine, dibenzoylthiamine, ethenzamide drug combination;Butylon;caffeine - bucetin - dibenzoylthiamine - ethenzamide

Chemical Property of Butylon

Chemical Property:

• Boiling Point: 718.2°Cat760mmHg
• Flash Point: 388.1°C
• PSA: 315.20000
• Density: g/cm³
• LogP: 7.85060
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 19
• Exact Mass: 1072.44767407
• Heavy Atom Count: 77
• Complexity: 1410

Purity/Quality:

BUTYLON 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)NC(=O)CC(C)O.CCOC1=CC=CC=C1C(=O)N.CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3)C.CN1C=NC2=C1C(=O)N(C(=O)N2C)C
• Isomeric SMILES: CCOC1=CC=C(C=C1)NC(=O)CC(C)O.CCOC1=CC=CC=C1C(=O)N.CC1=NC=C(C(=N1)N)CN(C=O)/C(=C(/CCOC(=O)C2=CC=CC=C2)\SC(=O)C3=CC=CC=C3)/C.CN1C=NC2=C1C(=O)N(C(=O)N2C)C