Basic information
- Name:
Carbamic acid,N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]-, ethyl ester
- Superlist Name:
- Ethyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate
- CAS No.:
204704-95-0
- Molecular Structure:
![Molecular Structure of 204704-95-0 (Carbamic acid,N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]-, ethyl ester)](http://www.lookchem.com/300w/2010/0619/204704-95-0.jpg)
- Formula:
- C20H22F3NO3
- Molecular Weight:
- 381.39
- Synonyms:
- Carbamicacid, methyl[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]-, ethyl ester (9CI);
- Density:
- 1.199g/cm3
- Boiling Point:
- 459.793 °C at 760 mmHg
- Flash Point:
- 231.875 °C
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Specification
The Ethyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate with cas registry number of 204704-95-0, has the systematic name of ethyl methyl{3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl}carbamate. And it is also named carbamic acid, N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]-, ethyl ester.
Physical properties about this chemical are: (1)ACD/LogP: 5.27; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 38.77 Å2; (7)Index of Refraction: 1.513; (8)Molar Refractivity: 95.695 cm3; (9)Molar Volume: 318.172 cm3; (10)Polarizability: 37.936×10-24cm3; (11)Surface Tension: 36.32 dyne/cm; (12)Enthalpy of Vaporization: 72.035 kJ/mol; (13)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c2ccc(OC(c1ccccc1)CCN(C(=O)OCC)C)cc2;
(2)InChI: InChI=1/C20H22F3NO3/c1-3-26-19(25)24(2)14-13-18(15-7-5-4-6-8-15)27-17-11-9-16(10-12-17)20(21,22)23/h4-12,18H,3,13-14H2,1-2H3;
(3)InChIKey: AUXZZUAGZGDPRQ-UHFFFAOYAU;
(4)Std. InChI: InChI=1S/C20H22F3NO3/c1-3-26-19(25)24(2)14-13-18(15-7-5-4-6-8-15)27-17-11-9-16(10-12-17)20(21,22)23/h4-12,18H,3,13-14H2,1-2H3;
(5)Std. InChIKey: AUXZZUAGZGDPRQ-UHFFFAOYSA-N