(3,5-Dimethyl-[1,2,4]triazol-1-yl)-acetic acid supplier

Name
(3,5-Dimethyl-[1,2,4]triazol-1-yl)-acetic acid
EINECS
CAS No. 684249-99-8
Density 1.36 g/cm³
Solubility
Melting Point
Formula C₆H₉N₃O₂
Boiling Point 400.4 °C at 760 mmHg
Molecular Weight 155.15
Flash Point 196 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 3,5-Dimethyl-1H-1,2,4-triazol-1-yl)acetic acid;
PSA 68.01000
LogP -0.02050

(3,5-Dimethyl-[1,2,4]triazol-1-yl)-acetic acid Specification

The (3,5-Dimethyl-[1,2,4]triazol-1-yl)-acetic acid, with the CAS registry number of 684249-99-8, is also known as 3,5-Dimethyl-1H-1,2,4-triazol-1-yl)acetic acid. It belongs to the product category of Glycinescaffold. This chemical's molecular formula is C₆H₉N₃O₂ and molecular weight is 155.15. What's more, its IUPAC name is 2-(3,5-Dimethyl-1,2,4-triazol-1-yl)acetic acid. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about (3,5-Dimethyl-[1,2,4]triazol-1-yl)-acetic acid are: (1)ACD/LogP: -0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.54; (4)ACD/LogD (pH 7.4): -4.13; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 57.01 Å²; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 39.04 cm³; (15)Molar Volume: 113.5 cm³; (16)Polarizability: 15.47×10^-24 cm³; (17)Surface Tension: 49.4 dyne/cm; (18)Density: 1.36 g/cm³; (19)Flash Point: 196 °C; (20)Enthalpy of Vaporization: 68.68 kJ/mol; (21)Boiling Point: 400.4 °C at 760 mmHg; (22)Vapour Pressure: 3.93E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)Cn1nc(nc1C)C
(2) InChI: InChI=1/C6H9N3O2/c1-4-7-5(2)9(8-4)3-6(10)11/h3H2,1-2H3,(H,10,11)
(3) InChIKey: HUUAJCXSNXEPAE-UHFFFAOYAN

Product Name

(3,5-Dimethyl-[1,2,4]triazol-1-yl)-acetic acid

(3,5-Dimethyl-[1,2,4]triazol-1-yl)-acetic acid Specification

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