Chemical Properties of 3-Amino-s-triazole (CAS 61-82-5)

InChI

InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)

InChI Key

KLSJWNVTNUYHDU-UHFFFAOYSA-N

Formula

C2H4N4

SMILES

Nc1nc[nH]n1

Molecular Weight¹

84.08

CAS

61-82-5

Other Names

• 1,2,4-triazol-3-amine
• 1,2,4-triazol-3-ylamine
• 1,2,4-triazole, 3-amino-
• 1H-1,2,4-Triazol-3-amine
• 1H-1,2,4-Triazol-3-ylamine
• 1H-1,2,4-Triazol-5-amine
• 1H-1,2,4-Triazole, 3-amino-
• 1H-1,2,4-Triazole-3-amine
• 2,3,5,6-Tetraazabicyclo[2.1.1]hex-1-ene
• 2-Amino-1,3,4-triazole
• 3-AT
• 3-Amino-1,2,4-triazol
• 3-Amino-1,2,4-triazole
• 3-Amino-1H-1,2,4-triazole
• 3-Aminotriazole
• 5-Amino-1,2,4-triazole
• 5-Amino-1H-1,2,4-triazole
• AT
• ATA
• Amerol
• Aminotriazol-spritzpulver
• Aminotriazole
• Aminotriazole (plant regulator)
• Aminotriazole bayer
• Amitolamitril
• Amitril T.L.
• Amitrol
• Amitrol 90
• Amitrol-T
• Amitrole
• Amizol
• Amizol D
• Amizol DP NAU
• Amizol F
• Azaplant
• Azaplant kombi
• Azolan
• Azole
• Campaprim A 1544
• Cytrol
• Cytrole
• Diurol 5030
• ENT 25445
• Elmasil
• Emisol
• Emisol 50
• Emisol F
• Fenavar
• Herbidal Total
• Herbizole
• Kleer-Lot
• MSS aminotriazole
• Maxata
• Orga-414
• Radoxone TL
• Ramizol
• Solution concentree T271
• TMG
• Triazolamine
• USAF XR-22
• Vorox
• Vorox AA
• Vorox AS
• Weedar ADS
• Weedar AT
• Weedazin
• Weedazin arginit
• Weedazol
• Weedazol GP2
• Weedazol T
• Weedazol super
• Weedex granulat
• Weedoclor
• s-Triazole, 3-amino-
• x-all Liquid

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-1435.50 ± 3.90	kJ/mol	NIST
ΔfH°solid	76.80 ± 3.90	kJ/mol	NIST
IE	8.30	eV	NIST
log10WS	[0.52; 0.52]
log10WS	0.52		Aq. Sol...
log10WS	0.52		Estimat...
logPoct/wat	-1.095		Crippen Calculated Property
McVol	59.500	ml/mol	McGowan Calculated Property
Inp	[1300.00; 1324.00]
Inp	1300.00		NIST
Inp	1324.00		NIST
Tfus	[428.90; 429.48]	K
Tfus	429.48	K	Aq. Sol...
Tfus	429.28 ± 0.20	K	NIST
Tfus	428.90 ± 0.20	K	NIST

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to 3-Amino-s-triazole.

Mixtures

• 3-Amino-s-triazole + Methyl Alcohol
• 3-Amino-s-triazole + Ethanol
• 3-Amino-s-triazole + Acetonitrile
• 3-Amino-s-triazole + 1-Propanol
• 3-Amino-s-triazole + Isopropyl Alcohol
• 3-Amino-s-triazole + Acetone
• 3-Amino-s-triazole + Ethyl Acetate
• 3-Amino-s-triazole + 1,4-Dioxane
• 3-Amino-s-triazole + 2-Pyrrolidinone, 1-methyl-
• 3-Amino-s-triazole + 2-Butanone

Sources

• Crippen Method
• Solubility determination and thermodynamic modelling of 3-amino-1,2,4-triazole in ten organic solvents from T = 283.15 K to T = 318.15 K and mixing properties of solutions
• Aqueous Solubility Prediction Method
• Estimated Solubility 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.