4-N-Butylanilino Datp
[CAS# 99304-84-4]

Identification

• Name: 4-N-Butylanilino Datp
• Synonyms: [(2R,3S,5R)-5-[6-Amino-2-[(4-Butylphenyl)Amino]Purin-9-Yl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-5-[6-Amino-2-[(4-Butylphenyl)Amino]-9-Purinyl]-3-Hydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-
• Molecular Formula: C₂₀H₂₉N₆O₁₂P₃
• Molecular Weight: 638.40
• CAS Registry Number: 99304-84-4
• SMILES: [C@H]1(O[C@@H]([C@@H](O)C1)CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)[N]3C2=NC(=NC(=C2N=C3)N)NC4=CC=C(C=C4)CCCC
• InChI: 1S/C20H29N6O12P3/c1-2-3-4-12-5-7-13(8-6-12)23-20-24-18(21)17-19(25-20)26(11-22-17)16-9-14(27)15(36-16)10-35-40(31,32)38-41(33,34)37-39(28,29)30/h5-8,11,14-16,27H,2-4,9-10H2,1H3,(H,31,32)(H,33,34)(H2,28,29,30)(H3,21,23,24,25)/t14-,15+,16+/m0/s1
• InChIKey: FIXMJCWSNNGOFC-ARFHVFGLSA-N

Properties

• Density: 1.93g/cm³ (Cal.)
• Boiling point: 967.783°C at 760 mmHg (Cal.)
• Flash point: 539.096°C (Cal.)