5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-phenyl-6-propyl-, dihydrate

Base Information

• Chemical Name: 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-phenyl-6-propyl-, dihydrate
• CAS No.: 135445-72-6
• Molecular Formula: C16H16 N6 O
• Molecular Weight: 308.3378
• DSSTox Substance ID: DTXSID10159351
• Wikidata: Q83027659
• Mol file: 135445-72-6.mol

Synonyms:5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-phenyl-6-propyl-, dihydrate;135445-72-6;6,9-Dihydro-9-methyl-3-phenyl-6-n-propyl-5H-1,2,4-triazolo(3,4-i)-5-one dihydrate;9-Methyl-3-phenyl-6-propyl-6,9-dihydro-5H-1,2,4-triazolo(3,4-i)purin-5-one hydrate;SCHEMBL9032358;C16H16N6O.2H2O;DTXSID10159351;C16-H16-N6-O.2H2-O;LS-156659

Chemical Property of 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-phenyl-6-propyl-, dihydrate

Chemical Property:

• Vapor Pressure: 1.74E-16mmHg at 25°C
• Boiling Point: 644.2°Cat760mmHg
• Flash Point: 343.4°C
• Density: 1.41g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 308.13855916
• Heavy Atom Count: 23
• Complexity: 454

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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