Chemical Properties of 4-Pteridinamine, N,N-dimethyl-

InChI

InChI=1S/C8H9N5/c1-13(2)8-6-7(11-5-12-8)10-4-3-9-6/h3-5H,1-2H3

InChI Key

KXQWQYBKUMVBIB-UHFFFAOYSA-N

Formula

C8H9N5

SMILES

CN(C)c1ncnc2nccnc12

Molecular Weight¹

175.20

Other Names

• N,N-dimethylpteridin-4-amine

• 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

Property	Value	Unit	Source
ω	0.5290		Relay (1.0) Calculated Property
ΔfG°	409.48	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	324.61	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	75.18	kJ/mol	Relay (1.0) Calculated Property
IE	8.44	eV	Relay (1.0) Calculated Property
log10WS	[-1.02; -1.02]
log10WS	-1.02		Aq. Solubility Prediction
log10WS	-1.02		Rytting (2005)
logPoct/wat	0.486		Crippen Calculated Property
McVol	130.260	ml/mol	McGowan Calculated Property
Pc	4766.91	kPa	Relay (1.0-beta) Calculated Property
Tboil	564.79	K	Relay (1.0) Calculated Property
Tc	866.48	K	Relay (1.0) Calculated Property
Tfus	437.26	K	Relay (1.0) Calculated Property
Vc	0.505	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 4-Pteridinamine, 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
• Aqueous Solubility Prediction Method
• Aqueous and cosolvent solubility data for drug-like organic compounds
• McGowan Method

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