Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

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

Related Products

Hot Products

Basic Information Post buying leads Suppliers
Name

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

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

3,5-Dimethyl-1H-1,2,4-triazol-1-yl)acetic acid;

 

(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

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 684249-99-8