Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1H-Pyrazole-4-carboxylicacid, 1-phenyl-5-propyl-, ethyl ester |
EINECS | N/A |
CAS No. | 116344-12-8 | Density | 1.1 g/cm3 |
PSA | 44.12000 | LogP | 3.00150 |
Solubility | N/A | Melting Point |
N/A |
Formula | C15H18N2O2 | Boiling Point | 388.5 °C at 760 mmHg |
Molecular Weight | 258.32 | Flash Point | 188.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Phenyl-5-propyl-1H-pyrazole-4-carboxylicacid ethyl ester; |
Article Data | 3 |
The 1H-Pyrazole-4-carboxylicacid, 1-phenyl-5-propyl-, ethyl ester, with the CAS registry number 116344-12-8, is also known as 1-Phenyl-5-propyl-1H-pyrazole-4-carboxylicacid ethyl ester. This chemical's molecular formula is : C15H18N2O2 and molecular weight is 258.32. What's more, its systematic name is ethyl 1-phenyl-5-propyl-1H-pyrazole-4-carboxylate.
Physical properties of 1H-Pyrazole-4-carboxylicacid, 1-phenyl-5-propyl-, ethyl ester are: (1)ACD/LogP: 4.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.15; (4)ACD/LogD (pH 7.4): 4.15; (5)ACD/BCF (pH 5.5): 835.57; (6)ACD/BCF (pH 7.4): 835.57; (7)ACD/KOC (pH 5.5): 4296.91; (8)ACD/KOC (pH 7.4): 4296.91; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 44.12 Å2; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 75.45 cm3; (15)Molar Volume: 234.6 cm3; (16)Polarizability: 29.91×10-24 cm3; (17)Surface Tension: 39.3 dyne/cm; (18)Density: 1.1 g/cm3; (19)Flash Point: 188.8 °C; (20)Enthalpy of Vaporization: 63.77 kJ/mol; (21)Boiling Point: 388.5 °C at 760 mmHg; (22)Vapour Pressure: 3.05×10-6 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c2cnn(c1ccccc1)c2CCC
(2)InChI: InChI=1/C15H18N2O2/c1-3-8-14-13(15(18)19-4-2)11-16-17(14)12-9-6-5-7-10-12/h5-7,9-11H,3-4,8H2,1-2H3
(3)InChIKey: NLPGHYPEJSXVNH-UHFFFAOYAR