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46054-70-0

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Basic Information
CAS No.: 46054-70-0
Name: 3,5-DIPROPYL-1,2,4-TRIAZOL-4-YLAMINE
Molecular Structure:
Molecular Structure of 46054-70-0 (3,5-DIPROPYL-1,2,4-TRIAZOL-4-YLAMINE)
Formula: C8H16N4
Molecular Weight: 168.242
Synonyms: 3,5-Dipropyl-1,2,4-triazol-4-ylamine;
Density: 1.13 g/cm3
Boiling Point: 333.2 °C at 760 mmHg
Flash Point: 155.3 °C
PSA: 56.73000
LogP: 1.47810
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Specification

The 4H-1,2,4-Triazol-4-amine,3,5-dipropyl-, with the CAS registry number of 46054-70-0, is also known as 3,5-Dipropyl-1,2,4-triazol-4-ylamine. Its molecular formula is C8H16N4 and molecular weight is 168.24. What's more, its systematic name is 3,5-Dipropyl-4H-1,2,4-triazol-4-amine. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the 4H-1,2,4-Triazol-4-amine,3,5-dipropyl- are: (1)ACD/LogP: 1.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.14; (4)ACD/LogD (pH 7.4): 1.25; (5)ACD/BCF (pH 5.5): 4.05; (6)ACD/BCF (pH 7.4): 5.27; (7)ACD/KOC (pH 5.5): 87.86; (8)ACD/KOC (pH 7.4): 114.24; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 33.95 Å2; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 48.47 cm3; (15)Molar Volume: 148 cm3; (16)Surface Tension: 40.8 dyne/cm; (17)Density: 1.13 g/cm3; (18)Flash Point: 155.3 °C; (19)Enthalpy of Vaporization: 57.6 kJ/mol; (20)Boiling Point: 333.2 °C at 760 mmHg; (21)Vapour Pressure: 0.000139 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1nc(n(N)c1CCC)CCC
(2) InChI: InChI=1/C8H16N4/c1-3-5-7-10-11-8(6-4-2)12(7)9/h3-6,9H2,1-2H3
(3) InChIKey: QQHNFZBYCQMAOD-UHFFFAOYAJ