Chemical Properties of Betazole (CAS 105-20-4)

InChI

InChI=1S/C5H9N3/c6-3-1-5-2-4-7-8-5/h2,4H,1,3,6H2,(H,7,8)

InChI Key

JXDFEQONERDKSS-UHFFFAOYSA-N

Formula

C5H9N3

SMILES

NCCc1cc[nH]n1

Molecular Weight¹

111.15

CAS

105-20-4

Other Names

• 1H-Pyrazole-3-ethanamine
• Pyrazole, 3-(2-aminoethyl)-
• Ametazole
• 3-(2-Aminoethyl)pyrazole
• 3-Aminoethylpyrazole

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.5025		Relay (... Calculated Property
ΔfG°	234.63	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	118.07	kJ/mol	Relay (... Calculated Property
ΔvapH°	72.36	kJ/mol	Relay (... Calculated Property
IE	9.07	eV	Relay (... Calculated Property
log10WS	1.10		Relay (... Calculated Property
logPoct/wat	-0.571		Crippen Calculated Property
McVol	91.790	ml/mol	McGowan Calculated Property
Pc	5226.63	kPa	Relay (... Calculated Property ⚠️
Inp	[1390.00; 1390.00]
Inp	1390.00		NIST
Inp	1390.00		NIST
Tboil	534.16	K	Relay (... Calculated Property
Tc	757.04	K	Relay (... Calculated Property
Tfus	422.15	K	Relay (... Calculated Property
Vc	0.330	m3/kmol	Relay (... Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Betazole.

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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