4-Ethyl-5-methyl-2H-1,2,4-triazol-3(4H)-one supplier

Name
4-Ethyl-5-methyl-2H-1,2,4-triazol-3(4H)-one
EINECS
CAS No. 58910-25-1
Article Data2
CAS DataBase
Density 1.27 g/cm³
Solubility
Melting Point
Formula C₅H₉N₃O
Boiling Point
Molecular Weight 127.146
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Ethyl-5-methyl-2H-1,2,4-triazol-3(4H)-one;4-ethyl-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one;
PSA 50.68000
LogP -0.10030

4-Ethyl-5-methyl-2H-1,2,4-triazol-3(4H)-one Specification

The 4-Ethyl-5-methyl-2H-1,2,4-triazol-3(4H)-one with the CAS number 58910-25-1 is also called 3H-1,2,4-Triazol-3-one,4-ethyl-2,4-dihydro-5-methyl-. The systematic name is 4-ethyl-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one. Its molecular formula is C₅H₉N₃O. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 4-Ethyl-5-methyl-2H-1,2,4-triazol-3(4H)-one are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 4.83; (5)ACD/KOC (pH 7.4): 4.92; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 44.7 Å²; (10)Index of Refraction: 1.586; (11)Molar Refractivity: 33.58 cm³; (12)Molar Volume: 100 cm³; (13)Polarizability: 13.31×10^-24cm³; (14)Surface Tension: 43.5 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: C\C1=N\NC(=O)N1CC
(2)InChI: InChI=1/C5H9N3O/c1-3-8-4(2)6-7-5(8)9/h3H2,1-2H3,(H,7,9)
(3)InChIKey: GROINEYGPPQQDZ-UHFFFAOYAF

Product Name

4-Ethyl-5-methyl-2H-1,2,4-triazol-3(4H)-one

4-Ethyl-5-methyl-2H-1,2,4-triazol-3(4H)-one Specification

Related Products

Hot Products