8-(2-Amino-4-chlorophenyl)-1,3-dipropyl-3,9-dihydro-1H-purine-2,6-dione
[CAS# 85872-51-1]

Identification

• Name: 8-(2-Amino-4-chlorophenyl)-1,3-dipropyl-3,9-dihydro-1H-purine-2,6-dione
• Synonyms: 1,3-dipropyl-8-(2-amino-4-chlorophenyl)xanthine; 1H-Purine-2,6-dione, 8-(2-amino-4-chlorophenyl)-3,7-dihydro-1,3-dipropyl; 1H-purine-2,6-dione, 8-(2-amino-4-chlorophenyl)-3,9-dihydro-1,3-dipropyl-
• Molecular Formula: C₁₇H₂₀ClN₅O₂
• Molecular Weight: 361.83
• CAS Registry Number: 85872-51-1
• SMILES: CCCN1C2=C(C(=O)N(C1=O)CCC)N=C(N2)C3=C(C=C(C=C3)Cl)N
• InChI: 1S/C17H20ClN5O2/c1-3-7-22-15-13(16(24)23(8-4-2)17(22)25)20-14(21-15)11-6-5-10(18)9-12(11)19/h5-6,9H,3-4,7-8,19H2,1-2H3,(H,20,21)
• InChIKey: SENJBFBVCXOUFE-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 609.9±65.0°C at 760 mmHg (Cal.)
• Flash point: 322.6±34.3°C (Cal.)