1H-Tetrazol-5-amine,1-butyl- supplier

Name
1-BUTYL-1H-TETRAZOL-5-AMINE
EINECS
CAS No. 6280-31-5
Article Data5
CAS DataBase
Density 1.34 g/cm³
Solubility
Melting Point 149-149.5 °C
Formula C₅H₁₁N₅
Boiling Point 293.1 °C at 760 mmHg
Molecular Weight 141.17
Flash Point 131 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 1H-Tetrazole,5-amino-1-butyl- (8CI);Tetrazole, 5-amino-1-butyl- (6CI);NSC 11111;
PSA 69.62000
LogP 0.63660

1H-Tetrazol-5-amine,1-butyl- Specification

The 1H-Tetrazol-5-amine, 1-butyl-, with the CAS registry number of 6280-31-5, is also known as AKOS LT-3X290 and 1-Butyl-1H-tetrazol-5-ylamine. This chemical's molecular formula is C₅H₁₁N₅ and molecular weight is 141.17. What's more, its IUPAC name is 1-Butyltetrazol-5-amine.

Physical properties about 1H-Tetrazol-5-amine, 1-butyl- are: (1)ACD/LogP: 0.29; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 46.84 Å²; (7)Index of Refraction: 1.639; (8)Molar Refractivity: 37.88 cm³; (9)Molar Volume: 105.1 cm³; (10)Polarizability: 15.01×10^-24 cm³; (11)Surface Tension: 54.3 dyne/cm; (12)Density: 1.34 g/cm³; (13)Flash Point: 131 °C; (14)Enthalpy of Vaporization: 53.26 kJ/mol; (15)Boiling Point: 293.1 °C at 760 mmHg; (16)Vapour Pressure: 0.00176 mmHg at 25°C.

Uses: it is used to produce other chemicals. For example, it is used to produce (1-Butyl-1H-tetrazol-5-yl)-(4-fluoro-benzylidene)-amine. This reaction needs reagent concd. Sulfuric acid and solvent Toluene. Other condition of this reaction is reaction time of 3 hours at 100 °C -110 °C. The yield is about 89 %.

You can still convert the following datas into molecular structure:
(1) SMILES: n1nnn(c1N)CCCC
(2) InChI: InChI=1/C5H11N5/c1-2-3-4-10-5(6)7-8-9-10/h2-4H2,1H3,(H2,6,7,9)
(3) InChIKey: DAFSTKDZKAGKGV-UHFFFAOYAH

Product Name

1-BUTYL-1H-TETRAZOL-5-AMINE

1H-Tetrazol-5-amine,1-butyl- Specification

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