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CAS No.: | 6341-37-3 |
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Name: | 1-(2-methoxyphenyl)-3-[2-methyl-5-(propan-2-yl)phenyl]urea |
Molecular Structure: | |
Formula: | C18H22N2O2 |
Molecular Weight: | 298.17 |
Synonyms: | NSC46212;1-(2-Methoxyphenyl)-3-(2-methyl-5-propan-2-ylphenyl)urea; |
Density: | 1.146 g/cm3 |
Boiling Point: | 348.697 °C at 760 mmHg |
Flash Point: | 164.686 °C |
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The Urea,N-(2-methoxyphenyl)-N'-[2-methyl-5-(1-methylethyl)phenyl]-, with the CAS registry number 6341-37-3, is also known as 1-(5-Isopropyl-2-methylphenyl)-3-(2-methoxyphenyl)urea. This chemical's molecular formula is C18H22N2O2 and molecular weight is 298.17. What's more, its IUPAC name is called 1-(2-Methoxyphenyl)-3-(2-methyl-5-propan-2-ylphenyl)urea.
Physical properties about Urea,N-(2-methoxyphenyl)-N'-[2-methyl-5-(1-methylethyl)phenyl]- are: (1)ACD/LogP: 3.791; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.79; (4)ACD/LogD (pH 7.4): 3.79; (5)ACD/BCF (pH 5.5): 447.70; (6)ACD/BCF (pH 7.4): 447.70; (7)ACD/KOC (pH 5.5): 2749.05; (8)ACD/KOC (pH 7.4): 2749.00; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 50.36 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 90.761 cm3; (15)Molar Volume: 260.207 cm3; (16)Surface Tension: 45.23 dyne/cm; (17)Density: 1.147 g/cm3; (18)Flash Point: 164.686 °C; (19)Enthalpy of Vaporization: 59.311 kJ/mol; (20)Boiling Point: 348.697 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Nc1ccccc1OC)Nc2cc(ccc2C)C(C)C
(2) InChI: InChI=1S/C18H22N2O2/c1-12(2)14-10-9-13(3)16(11-14)20-18(21)19-15-7-5-6-8-17(15)22-4/h5-12H,1-4H3,(H2,19,20,21)
(3) InChIKey: YIOZSFNDGMKRKF-UHFFFAOYSA-N