Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Benzotriazol-1-yl-acetamide |
EINECS | N/A |
CAS No. | 69218-56-0 | Density | 1.48g/cm3 |
PSA | 73.80000 | LogP | 0.61690 |
Solubility | N/A | Melting Point |
189-191 °C(Solv: water (7732-18-5)) |
Formula | C8H8N4O | Boiling Point | 454.1 °C at 760 mmHg |
Molecular Weight | 176.178 | Flash Point | 228.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-BENZOTRIAZOL-1-YL-ACETAMIDE |
Article Data | 4 |
The 2-Benzotriazol-1-yl-acetamide, with CAS registry number 69218-56-0, has the systematic name of 2-(1H-benzotriazol-1-yl)acetamide. And the chemical formula of this chemical is C8H8N4O.
Physical properties of 2-Benzotriazol-1-yl-acetamide: (1)ACD/LogP: -0.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.02; (4)ACD/LogD (pH 7.4): -0.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.16; (8)ACD/KOC (pH 7.4): 23.16; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 51.02 Å2; (13)Index of Refraction: 1.726; (14)Molar Refractivity: 47.14 cm3; (15)Molar Volume: 118.5 cm3; (16)Polarizability: 18.68×10-24cm3; (17)Surface Tension: 67.6 dyne/cm; (18)Density: 1.48 g/cm3; (19)Flash Point: 228.4 °C; (20)Enthalpy of Vaporization: 71.36 kJ/mol; (21)Boiling Point: 454.1 °C at 760 mmHg; (22)Vapour Pressure: 1.97E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)Cn2nnc1ccccc12
(2)InChI: InChI=1/C8H8N4O/c9-8(13)5-12-7-4-2-1-3-6(7)10-11-12/h1-4H,5H2,(H2,9,13)
(3)InChIKey: VTGWGWRETFLFQN-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C8H8N4O/c9-8(13)5-12-7-4-2-1-3-6(7)10-11-12/h1-4H,5H2,(H2,9,13)
(5)Std. InChIKey: VTGWGWRETFLFQN-UHFFFAOYSA-N