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CAS No.: | 400899-84-5 |
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Name: | Carbamic acid, methyl(4-oxocyclohexyl)-, 1,1-dimethylethyl ester |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C12H21NO3 |
Molecular Weight: | 227.304 |
Synonyms: | 2-Methyl-2-propanyl methyl(4-oxocyclohexyl)carbamate;tert-Butyl methyl(4-oxocyclohexyl)carbamate; |
Density: | 1.05 g/cm3 |
Boiling Point: | 316.6 °C at 760 mmHg |
Flash Point: | 145.3 °C |
PSA: | 46.61000 |
LogP: | 2.36500 |
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The CAS register number of Carbamicacid, N-methyl-N-(4-oxocyclohexyl)-, 1,1-dimethylethyl ester is 400899-84-5. It also can be called as 2-Methyl-2-propanyl methyl(4-oxocyclohexyl)carbamate and the systematic name about this chemical is Carbamic acid, N-methyl-N-(4-oxocyclohexyl)-, 1,1-dimethylethyl ester. The molecular formula about this chemical is C12H21NO3 and the molecular weight is 227.30004.
Physical properties about Carbamicacid, N-methyl-N-(4-oxocyclohexyl)-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.64; (2)ACD/LogD (pH 5.5): 1.64; (3)ACD/LogD (pH 7.4): 1.64; (4)#H bond acceptors: 4; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 46.61Å2; (7)Index of Refraction: 1.48; (8)Molar Refractivity: 61.4 cm3; (9)Molar Volume: 216 cm3; (10)Polarizability: 24.34x10-24cm3; (11)Surface Tension: 36.8 dyne/cm; (12)Flash Point: 145.3 °C; (13)Enthalpy of Vaporization: 55.79 kJ/mol; (14)Boiling Point: 316.6 °C at 760 mmHg; (15)Vapour Pressure: 0.000407 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCC(CC1)N(C)C(=O)OC(C)(C)C
(2)InChI: InChI=1/C12H21NO3/c1-12(2,3)16-11(15)13(4)9-5-7-10(14)8-6-9/h9H,5-8H2,1-4H3
(3)InChIKey: JAMGILZSPQRPBH-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13(4)9-5-7-10(14)8-6-9/h9H,5-8H2,1-4H3
(5)Std. InChIKey: JAMGILZSPQRPBH-UHFFFAOYSA-N