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CAS No.: | 18659-24-0 |
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Name: | 2-methyl-4-(propan-2-yl)phenyl methylcarbamate |
Molecular Structure: | |
Formula: | C12H17NO2 |
Molecular Weight: | 207.2689 |
Density: | 1.024 g/cm3 |
Boiling Point: | 280.8 °C at 760 mmHg |
Flash Point: | 123.6 °C |
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The CAS registry number of Phenol,3-methyl-4-(1-methylethyl)-, 1-(N-methylcarbamate) is 18659-24-0. This chemical's molecular formula is C12H17NO2 and molecular weight is 207.2689. What's more, its IUPAC name is (2-Methyl-4-propan-2-ylphenyl) N-methylcarbamate.
Physical properties about Phenol,3-methyl-4-(1-methylethyl)-, 1-(N-methylcarbamate) are: (1)ACD/LogP: 2.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.96; (4)ACD/LogD (pH 7.4): 2.96; (5)ACD/BCF (pH 5.5): 105.51; (6)ACD/BCF (pH 7.4): 105.51; (7)ACD/KOC (pH 5.5): 976.98; (8)ACD/KOC (pH 7.4): 976.97; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 60.19 cm3; (15)Molar Volume: 202.2 cm3; (16)Polarizability: 23.86×10-24 cm3; (17)Surface Tension: 34.3 dyne/cm; (18)Density: 1.024 g/cm3; (19)Flash Point: 123.6 °C; (20)Enthalpy of Vaporization: 51.96 kJ/mol; (21)Boiling Point: 280.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0037 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Oc1ccc(cc1C)C(C)C)NC
(2) InChI: InChI=1/C12H17NO2/c1-8(2)10-5-6-11(9(3)7-10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14)
(3) InChIKey: USQHVTMQSDIDMJ-UHFFFAOYAD