Chemical Properties of N,N-dimethylpteridin-7-amine

InChI

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

InChI Key

MPTKEBUBIGZGJH-UHFFFAOYSA-N

Formula

C8H9N5

SMILES

CN(C)c1cnc2cncnc2n1

Molecular Weight¹

175.20

• 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	0.5303		Relay (1.0) Calculated Property
ΔfG°	407.88	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	332.11	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	84.44	kJ/mol	Relay (1.0) Calculated Property
IE	8.63	eV	Relay (1.0) Calculated Property
log10WS	[-0.02; -0.02]
log10WS	-0.02		Aq. Solubility Prediction
log10WS	-0.02		Rytting (2005)
logPoct/wat	0.486		Crippen Calculated Property
McVol	130.260	ml/mol	McGowan Calculated Property
Pc	4837.53	kPa	Relay (1.0-beta) Calculated Property
Tboil	564.22	K	Relay (1.0) Calculated Property
Tc	880.26	K	Relay (1.0) Calculated Property
Tfus	460.65	K	Relay (1.0) Calculated Property
Vc	0.507	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to N,N-dimethylpteridin-7-amine.

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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