Chemical Properties of 1H-Purin-6-amine, N-methyl- (CAS 443-72-1)

InChI

InChI=1S/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11)

InChI Key

CKOMXBHMKXXTNW-UHFFFAOYSA-N

Formula

C6H7N5

SMILES

CNc1ncnc2[nH]cnc12

Molecular Weight¹

149.15

CAS

443-72-1

Other Names

• Adenine, N-methyl-
• N6-Methyladenine
• 6-(Methylamino)purine
• 6-Methyladenine
• 6-Monomethylaminopurine
• 6-MAP
• N6-Monomethyladenine
• NSC 11580
• 6-(N-Methylamino)purine
• methyl(purin-6-yl)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_subH : Enthalpy of sublimation at a given temperature (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	0.5238		Relay (1.0) Calculated Property
ΔfG°	360.76	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	255.26	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	87.66	kJ/mol	Relay (1.0) Calculated Property
IE	[8.15; 8.39]	eV
IE	8.15	eV	NIST
IE	8.15	eV	NIST
IE	8.39	eV	NIST
log10WS	-2.55		Relay (1.0) Calculated Property
logPoct/wat	-0.087		Crippen Calculated Property
McVol	106.380	ml/mol	McGowan Calculated Property
Pc	6416.60	kPa	Relay (1.0-beta) Calculated Property
Tboil	597.84	K	Relay (1.0) Calculated Property
Tc	898.85	K	Relay (1.0) Calculated Property
Tfus	516.42	K	Relay (1.0) Calculated Property
Vc	0.403	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Similar Compounds

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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.