Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-[5-(1,2,4-Triazol-1-ylmethyl)-1H-indol-3-yl]ethanol |
EINECS | N/A |
CAS No. | 160194-39-8 | Density | 1.357g/cm3 |
PSA | 66.73000 | LogP | 1.34250 |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H14 N4 O | Boiling Point | 545.458 °C at 760 mmHg |
Molecular Weight | 242.28 | Flash Point | 283.683 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-[5-(1,2,4-Triazol-1-ylmethyl)-1H-indol-3-yl]ethanol; |
Article Data | 4 |
The 2-[5-(1,2,4-Triazol-1-ylmethyl)-1H-indol-3-yl]ethanol with cas registry number of 160194-39-8, is also called 1H-Indole-3-ethanol,5-(1H-1,2,4-triazol-1-ylmethyl)- .
Physical properties of 2-[5-(1,2,4-Triazol-1-ylmethyl)-1H-indol-3-yl]ethanol :(1)ACD/LogP: 0.27; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 66.73 Å2; (7)Index of Refraction: 1.697; (8)Molar Refractivity: 68.779 cm3; (9)Molar Volume: 178.585 cm3; (10)Polarizability: 27.266×10-24cm3; (11)Surface Tension: 57.123 dyne/cm; (12)Enthalpy of Vaporization: 86.75 kJ/mol; (13)Vapour Pressure: 0 mmHg at 25°C .
You can still convert the following datas into molecular structure: (1)SMILES:n1cn(nc1)Cc2cc3c(cc2)ncc3CCO; (2)InChI:InChI=1/C13H14N4O/c18-4-3-11-6-15-13-2-1-10(5-12(11)13)7-17-9-14-8-16-17/h1-2,5-6,8-9,15,18H,3-4,7H2; (3)InChIKey:WXWBRTKSGCYLQS-UHFFFAOYAO; (4)Std. InChI:InChI=1S/C13H14N4O/c18-4-3-11-6-15-13-2-1-10(5-12(11)13)7-17-9-14-8-16-17/h1-2,5-6,8-9,15,18H,3-4,7H2; (5)Std. InChIKey:WXWBRTKSGCYLQS-UHFFFAOYSA-N.