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| CAS No.: | 14389-13-0 |
|---|---|
| Name: | 5-propyl-2H-tetrazole |
| Article Data: | 18 |
| Molecular Structure: | |
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| Formula: | C4H8N4 |
| Molecular Weight: | 112.13 |
| Synonyms: | 5-Propyl-1H-tetrazol;5-propyl-1H-1,2,3,4-tetrazole;5-propyltetrazole;5-n-Propyl-1H-tetrazole;5-n-Propyl-tetrazol;5-propyl-1H-tetrazole; |
| Density: | 1.158 g/cm3 |
| Boiling Point: | 240.3 °C at 760 mmHg |
| Flash Point: | 110 °C |
| PSA: | 54.46000 |
| LogP: | 0.15220 |
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Specification
This chemical is called 5-Propyl-2H-tetrazole, and its CAS registry number is 14389-13-0. With the molecular formula of C4H8N4, its molecular weight is 112.13.
Other characteristics of the 5-Propyl-2H-tetrazole can be summarised as followings: (1)ACD/LogP: -0.12; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 12.07; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 43.6 Å2; (11)Index of Refraction: 1.514; (12)Molar Refractivity: 29.14 cm3; (13)Molar Volume: 96.7 cm3; (14)Polarizability: 11.55×10-24cm3; (15)Surface Tension: 56.8 dyne/cm; (16)Density: 1.158 g/cm3; (17)Flash Point: 110 °C; (18)Enthalpy of Vaporization: 47.72 kJ/mol; (19)Boiling Point: 240.3 °C at 760 mmHg; (20)Vapour Pressure: 0.0382 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: n1nnnc1CCC
2.InChI: InChI=1/C4H8N4/c1-2-3-4-5-7-8-6-4/h2-3H2,1H3,(H,5,6,7,8)
3.InChIKey: JAHCQVVOKAFXQU-UHFFFAOYAH