Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-Propyl-1H-1,2,4-triazole-5-methanol |
EINECS | N/A |
CAS No. | 202931-85-9 | Density | 1.2 g/cm3 |
PSA | 50.94000 | LogP | 0.18040 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H11N3O | Boiling Point | 300.1 °C at 760 mmHg |
Molecular Weight | 141.173 | Flash Point | 135.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(1-Propyl-1H-1,2,4-triazol-5-yl)methanol; |
Article Data | 2 |
The 1H-1,2,4-Triazole-5-methanol,1-propyl-, with the CAS registry number 202931-85-9, is also known as (2-Propyl-2H-[1,2,4]triazol-3-yl)-methanol. This chemical's molecular formula is C6H11N3O and molecular weight is 141.171. What's more, it has the systematic name (1-Propyl-1H-1,2,4-triazol-5-yl)methanol.
Physical properties about 1H-1,2,4-Triazole-5-methanol,1-propyl- are: (1)# of Rule of 5 Violations: 0; (2) ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 15.45; (5)ACD/KOC (pH 7.4): 15.5; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 50.94 Å2; (10)Index of Refraction: 1.569; (11)Molar Refractivity: 38.37 cm3; (12)Molar Volume: 117 cm3; (13)Polarizability: 15.21×10-24cm3; (14)Surface Tension: 44.8 dyne/cm; (15)Density: 1.2 g/cm3; (16)Flash Point: 135.3 °C; (17)Enthalpy of Vaporization: 57.04 kJ/mol; (18)Boiling Point: 300.1 °C at 760 mmHg; (19)Vapour Pressure: 0.00051 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCCn1ncnc1CO
(2) InChI: InChI=1/C6H11N3O/c1-2-3-9-6(4-10)7-5-8-9/h5,10H,2-4H2,1H3
(3) InChIKey: OUXGHJCAIAMWRQ-UHFFFAOYAZ