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Basic Information
CAS No.: 65312-61-0
Name: (4H)-1,2,4-triazol-3-amine
Article Data: 2
Molecular Structure:
Molecular Structure of 65312-61-0 ((4H)-1,2,4-triazol-3-amine)
Formula: C2H4N4
Molecular Weight: 84.0806
Synonyms: (4H)-1,2,4-triazol-3-amine
EINECS: 265-695-7
Density: 1.488g/cm3
Boiling Point: 347.2 °C at 760 mmHg
Flash Point: 190.7 °C
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Specification

The 4H-1,2,4-Triazol-3-amine, with CAS registry number 65312-61-0, has the systematic name of 1H-1,2,4-triazol-5-amine. Besides this, it is also called 3-amino-1H-1,2-4-triazole. And the chemical formula of this chemical is C2H4N4. What's more, its EINECS is 265-695-7.

Physical properties of 4H-1,2,4-Triazol-3-amine: (1)ACD/LogP: -1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.27; (4)ACD/LogD (pH 7.4): -1.25; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.68; (8)ACD/KOC (pH 7.4): 5; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 33.95 Å2; (13)Index of Refraction: 1.67; (14)Molar Refractivity: 21.1 cm3; (15)Molar Volume: 56.4 cm3; (16)Polarizability: 8.36×10-24cm3; (17)Surface Tension: 105.4 dyne/cm; (18)Density: 1.488 g/cm3; (19)Flash Point: 190.7 °C; (20)Enthalpy of Vaporization: 59.15 kJ/mol; (21)Boiling Point: 347.2 °C at 760 mmHg; (22)Vapour Pressure: 5.45E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1cnnc1N
(2)InChI: InChI=1/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)
(3)InChIKey: KLSJWNVTNUYHDU-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)
(5)Std. InChIKey: KLSJWNVTNUYHDU-UHFFFAOYSA-N