-
Name
3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-amine
- EINECS
- CAS No. 877400-66-3
- Article Data5
- CAS DataBase
- Density 1.475 g/cm3
- Solubility
- Melting Point
- Formula C21H22Cl2FN5O
- Boiling Point 599.177 °C at 760 mmHg
- Molecular Weight 450.343
- Flash Point 316.171 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 3-(1-(2,6-Dichloro-3-fluorophenyl)ethoxy)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-amine;
- PSA 77.99000
- LogP 5.94770
2-Pyridinamine,3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]- Specification
The CAS registry number of 2-Pyridinamine,3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]- is 877400-66-3. The systematic name is 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine. In addition, the molecular formula is C21H22Cl2FN5O and the molecular weight is 450.34.
Physical properties about 2-Pyridinamine,3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]- are: (1)ACD/LogP: 3.55; (2)#H bond acceptors: 6; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 77.99 Å2; (6)Index of Refraction: 1.673; (7)Molar Refractivity: 114.441 cm3; (8)Molar Volume: 305.217 cm3; (9)Polarizability: 45.368 ×10-24cm3; (10)Surface Tension: 51.108 dyne/cm; (11)Density: 1.475 g/cm3; (12)Flash Point: 316.171 °C; (13)Enthalpy of Vaporization: 89.211 kJ/mol; (14)Boiling Point: 599.177 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(F)c(Cl)c1C(Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4)C
(2)InChI: InChI=1/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)
(3)InChIKey: KTEIFNKAUNYNJU-UHFFFAOYAP
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