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| CAS No.: | 374726-62-2 |
|---|---|
| Name: | Mandipropamid |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C23H22ClNO4 |
| Molecular Weight: | 411.885 |
| Synonyms: | Benzeneacetamide,4-chloro-N-[2-[3-methoxy-4-(2-propynyloxy)phenyl]ethyl]-a-(2-propynyloxy)- (9CI);(?à)-Chlorophenyl)-N-[2-[3-methoxy-4-(prop-2-ynyloxy)phenyl]ethyl]-2-(prop-2-ynyloxy)acetamide;2-(4-Chlorophenyl)-N-[2-[3-methoxy-4-(prop-2-ynyloxy)phenyl]ethyl]-2-(prop-2-ynyloxy)acetamide;Mandipropamid; |
| Density: | 1.214g/cm3 |
| Melting Point: | 96-97 °C |
| Boiling Point: | 608.6 °C at 760 mmHg |
| Flash Point: | 321.8 °C |
| PSA: | 60.28000 |
| LogP: | 4.25070 |
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- Total:0 Page 0 of 0
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Specification
The Mandipropamid with the CAS number 374726-62-2 is also called Benzeneacetamide,4-chloro-N-[2-[3-methoxy-4-(2-propyn-1-yloxy)phenyl]ethyl]-a-(2-propyn-1-yloxy)-. The IUPAC name is 2-(4-chlorophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-prop-2-ynoxyacetamide. Its molecular formula is C23H22ClNO4.
The properties of the chemical are: (1)ACD/LogP: 4.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.16; (4)ACD/LogD (pH 7.4): 4.16; (5)ACD/BCF (pH 5.5): 850.38; (6)ACD/BCF (pH 7.4): 850.38; (7)ACD/KOC (pH 5.5): 4351.27; (8)ACD/KOC (pH 7.4): 4351.27; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 48 Å2; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 112 cm3; (15)Molar Volume: 339 cm3; (16)Polarizability: 44.4×10-24cm3; (17)Surface Tension: 48.1 dyne/cm; (18)Enthalpy of Vaporization: 90.42 kJ/mol; (19)Vapour Pressure: 9.38×10-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)C(OCC#C)C(=O)NCCc2ccc(OCC#C)c(OC)c2
(2)InChI: InChI=1/C23H22ClNO4/c1-4-14-28-20-11-6-17(16-21(20)27-3)12-13-25-23(26)22(29-15-5-2)18-7-9-19(24)10-8-18/h1-2,6-11,16,22H,12-15H2,3H3,(H,25,26)
(3)InChIKey: KWLVWJPJKJMCSH-UHFFFAOYAW