Chemical Properties of 1H-Purin-6-amine, N,N-dimethyl-

InChI

InChI=1S/C7H9N5/c1-12(2)7-5-6(9-3-8-5)10-4-11-7/h3-4H,1-2H3,(H,8,9,10,11)

InChI Key

BVIAOQMSVZHOJM-UHFFFAOYSA-N

Formula

C7H9N5

SMILES

CN(C)c1ncnc2[nH]cnc12

Molecular Weight¹

163.18

Other Names

• Adenine, N,N-dimethyl-
• 6-(Dimethylamino)purine
• N(6),N(6)-Dimethyladenine
• N,N-Dimethyladenine
• 6-Dimethyladenine
• Dimethyladenine
• N,N-Dimethyl-6-aminopurine
• Purine, 6-(dimethylamino)-
• Adenine, N6,N6-dimethyl-
• 6-Dimethylamino-9H-purine
• NSC 401568
• Dimethylaminopurine

• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	7.78	eV	NIST
log10WS	-2.39		Relay (1.0) Calculated Property
logPoct/wat	-0.063		Crippen Calculated Property
McVol	120.470	ml/mol	McGowan Calculated Property
Inp	[1804.00; 1878.20]
Inp	1804.00		NIST
Inp	1878.20		NIST
Inp	1878.20		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to 1H-Purin-6-amine, N,N-dimethyl-.

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
• McGowan Method
• NIST Webbook

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