Benzoic acid, 4-(6,9-dihydro-9-methyl-5-oxo-6-propyl-5H-1,2,4-triazolo(3,4-i)purin-3-yl)-, methyl ester

Base Information

• Chemical Name: Benzoic acid, 4-(6,9-dihydro-9-methyl-5-oxo-6-propyl-5H-1,2,4-triazolo(3,4-i)purin-3-yl)-, methyl ester
• CAS No.: 135445-93-1
• Molecular Formula: C18H18 N6 O3
• Molecular Weight: 366.3739
• DSSTox Substance ID: DTXSID10159371
• Wikidata: Q83027686
• Mol file: 135445-93-1.mol

Synonyms:135445-93-1;Benzoic acid, 4-(6,9-dihydro-9-methyl-5-oxo-6-propyl-5H-1,2,4-triazolo(3,4-i)purin-3-yl)-, methyl ester;SCHEMBL9031003;DTXSID10159371;LS-37029

Chemical Property of Benzoic acid, 4-(6,9-dihydro-9-methyl-5-oxo-6-propyl-5H-1,2,4-triazolo(3,4-i)purin-3-yl)-, methyl ester

Chemical Property:

• Vapor Pressure: 9.76E-19mmHg at 25°C
• Boiling Point: 687.2°Cat760mmHg
• Flash Point: 369.4°C
• Density: 1.44g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 366.14403846
• Heavy Atom Count: 27
• Complexity: 581

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN1C2=C(C3=NN=C(N3C1=O)C4=CC=C(C=C4)C(=O)OC)N(C=N2)C

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