Chemical Properties of 1-Aminotetrazole (CAS 5378-49-4)

InChI

InChI=1S/CH3N5/c2-6-1-3-4-5-6/h1H,2H2

InChI Key

KNRUQUSSDKZTSQ-UHFFFAOYSA-N

Formula

CH3N5

SMILES

Nn1cnnn1

Molecular Weight¹

85.07

CAS

5378-49-4

Other Names

• 1H-tetrazole, 5-amino-
• 1H-tetrazole-5-amine
• 5-amino-1,2,3,4-tetrazole
• 5-amino-1H-tetrazole
• 5-aminotetrazole
• aminotetrazole
• tetrazole, 5-amino-

• 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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	0.5190		Relay (1.0) Calculated Property
ΔfG°	397.73	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	323.80 ± 2.60	kJ/mol	NIST
ΔfH°solid	207.80 ± 2.30	kJ/mol	NIST
ΔsubH°	[116.00; 116.00]	kJ/mol
ΔsubH°	116.00 ± 1.20	kJ/mol	NIST
ΔsubH°	116.00	kJ/mol	NIST
ΔvapH°	84.43	kJ/mol	Relay (1.0) Calculated Property
IE	9.68	eV	Relay (1.0) Calculated Property
log10WS	0.29		Relay (1.0) Calculated Property
logPoct/wat	-1.613		Crippen Calculated Property
McVol	55.390	ml/mol	McGowan Calculated Property
Pc	6993.47	kPa	Relay (1.0-beta) Calculated Property
Tboil	572.21	K	Relay (1.0) Calculated Property
Tc	781.04	K	Relay (1.0) Calculated Property
Tfus	471.43	K	Relay (1.0) Calculated Property
Vc	0.234	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1-Aminotetrazole.

Mixtures

• 1-Aminotetrazole + Methyl Alcohol
• 1-Aminotetrazole + Ethanol
• 1-Aminotetrazole + 1-Propanol
• 1-Aminotetrazole + Isopropyl Alcohol
• 1-Aminotetrazole + 1-Butanol
• 1-Aminotetrazole + Acetonitrile
• 1-Aminotetrazole + Ethyl Acetate
• 1-Aminotetrazole + Acetone
• 1-Aminotetrazole + 1,4-Dioxane
• 1-Aminotetrazole + Toluene
• 1-Aminotetrazole + 2-Pyrrolidinone, 1-methyl-
• 1-Aminotetrazole + Formamide, 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
• Solubility Determination, Correlation, and Solute-Solvent Molecular Interactions of 5-Aminotetrazole in Various Pure Solvents
• McGowan Method
• NIST Webbook

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