3H-1,2,4-Triazol-3-one,4,5-diethyl-2,4-dihydro- supplier

Name
4,5-DIETHYL-2,4-DIHYDRO 1,2,4-TRIAZOL-3 ONE
EINECS 258-233-0
CAS No. 52883-26-8
Article Data3
CAS DataBase
Density 1.21 g/cm³
Solubility
Melting Point
Formula C₆H₁₁N₃O
Boiling Point
Molecular Weight 141.173
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,4-Diethyl-D2-1,2,4-triazolin-5-one;4,5-Diethyl-2,4-dihydro-1,2,4-triazol-3-one;NSC680859;
PSA 50.68000
LogP 0.15370

3H-1,2,4-Triazol-3-one,4,5-diethyl-2,4-dihydro- Specification

The 3H-1, 2, 4-Triazol-3-one, 4, 5-diethyl-2, 4-dihydro-, with the CAS registry number 52883-26-8, is also known as 4, 5-Diethyl-2, 4-dihydro-3H-1, 2, 4-triazol-3-one. It belongs to the product category of Miscellaneous. Its EINECS registry number is 258-233-0. This chemical's molecular formula is C₆H₁₁N₃O and molecular weight is 141.171. What's more, its IUPAC name is 3, 4-Diethyl-1H-1, 2, 4-triazol-5-one.

Physical properties about 3H-1, 2, 4-Triazol-3-one, 4, 5-diethyl-2, 4-dihydro- are: (1)ACD/LogP: -0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.73; (4)ACD/LogD (pH 7.4): -0.72; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.39; (8)ACD/KOC (pH 7.4): 9.57; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.91 Å²; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 38.18 cm³; (15)Molar Volume: 116.1 cm³; (16)Polarizability: 15.13×10^-24 cm³; (17)Surface Tension: 41.8 dyne/cm; (18)Density: 1.21 g/cm³.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1N(\C(=N/N1)CC)CC
(2) InChI: InChI=1/C6H11N3O/c1-3-5-7-8-6(10)9(5)4-2/h3-4H2,1-2H3,(H,8,10)
(3) InChIKey: UEUMMYRZUZKMRI-UHFFFAOYAD

Product Name

4,5-DIETHYL-2,4-DIHYDRO 1,2,4-TRIAZOL-3 ONE

3H-1,2,4-Triazol-3-one,4,5-diethyl-2,4-dihydro- Specification

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