2-Benzotriazol-1-yl-acetamide supplier

Name
2-Benzotriazol-1-yl-acetamide
EINECS
CAS No. 69218-56-0
Article Data4
CAS DataBase
Density 1.48g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-BENZOTRIAZOL-1-YL-ACETAMIDE
PSA 73.80000
LogP 0.61690

2-Benzotriazol-1-yl-acetamide Specification

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

Product Name

2-Benzotriazol-1-yl-acetamide

2-Benzotriazol-1-yl-acetamide Specification

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