(E)-4-(3-Butyl-1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-9H-purin-8-yl)cinnamic acid

Base Information

• Chemical Name: (E)-4-(3-Butyl-1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-9H-purin-8-yl)cinnamic acid
• CAS No.: 106465-56-9
• Molecular Formula: C19H20 N4 O4
• Molecular Weight: 368.3865
• Wikidata: Q76388831
• Mol file: 106465-56-9.mol

Synonyms:(E)-4-(3-Butyl-1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-9H-purin-8-yl)cinnamic acid;2-Propenoic acid, 3-(4-(3-butyl-2,3,6,7-tetrahydro-1-methyl-2,6-dioxo-1H-purin-8-yl)phenyl)-,(E)-;106465-56-9;SCHEMBL9158983;SCHEMBL9158997;LS-123583

Chemical Property of (E)-4-(3-Butyl-1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-9H-purin-8-yl)cinnamic acid

Chemical Property:

• Vapor Pressure: 8.16E-18mmHg at 25°C
• Boiling Point: 650.6°C at 760 mmHg
• Flash Point: 347.3°C
• Density: 1.342g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 368.14845513
• Heavy Atom Count: 27
• Complexity: 615

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=C(C=C3)C=CC(=O)O
• Isomeric SMILES: CCCCN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=C(C=C3)/C=C/C(=O)O