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Name |
4H-1,2,4-Triazole-4-propanol |
EINECS | N/A |
CAS No. | 27106-94-1 | Density | 1.24g/cm3 |
PSA | 50.94000 | LogP | -0.33950 |
Solubility | N/A | Melting Point |
58-60°C |
Formula | C5H9N3O | Boiling Point | 310.3 °C at 760 mmHg |
Molecular Weight | 127.14 | Flash Point | 141.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
4-(3'-Hydroxypropyl)-1,2,4-triazole; |
The 4H-1,2,4-Triazole-4-propanol, with CAS registry number 27106-94-1, has the systematic name of 3-(4H-1,2,4-triazol-4-yl)propan-1-ol. Besides this, it is also called 4-(3-Hydroxypropyl)-4H-1,2,4-triazole. And the chemical formula of this chemical is C5H9N3O.
Physical properties of 4H-1,2,4-Triazole-4-propanol: (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): 4.8; (5)ACD/KOC (pH 7.4): 4.83; (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: 1.581; (11)Molar Refractivity: 33.95 cm3; (12)Molar Volume: 101.7 cm3; (13)Polarizability: 13.45×10-24cm3; (14)Surface Tension: 50.9 dyne/cm; (15)Density: 1.24 g/cm3; (16)Flash Point: 141.4 °C; (17)Enthalpy of Vaporization: 58.19 kJ/mol; (18)Boiling Point: 310.3 °C at 760 mmHg; (19)Vapour Pressure: 0.000261 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCCCn1cnnc1
(2)InChI: InChI=1/C5H9N3O/c9-3-1-2-8-4-6-7-5-8/h4-5,9H,1-3H2
(3)InChIKey: PSFQZUIYYGSLQU-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C5H9N3O/c9-3-1-2-8-4-6-7-5-8/h4-5,9H,1-3H2
(5)Std. InChIKey: PSFQZUIYYGSLQU-UHFFFAOYSA-N