Chemical Properties of 2,6-Diaminopurine (CAS 1904-98-9)

InChI

InChI=1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11)

InChI Key

MSSXOMSJDRHRMC-UHFFFAOYSA-N

Formula

C5H6N6

SMILES

N=c1[nH]c2ncnc-2c(N)[nH]1

Molecular Weight¹

150.14

CAS

1904-98-9

Other Names

• 1H-purine-2,6-diamine
• 2-aminoadenine
• 9H-purine-2,6-diamine
• NSC 743
• Purine, 2,6-diamino-
• Purine, 2,6-diamio-
• SQ 21065
• X 79
• purine-2,6-diyldiamine

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

Find more compounds similar to 2,6-Diaminopurine.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Equilibrium partitioning of drug molecules between aqueous and amino acid ester-based ionic liquids
• McGowan Method
• NIST Webbook

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