Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-(N-Boc-N-methylamino)cyclohexanone |
EINECS | N/A |
CAS No. | 400899-84-5 | Density | 1.05 g/cm3 |
PSA | 46.61000 | LogP | 2.36500 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H21NO3 | Boiling Point | 316.6 °C at 760 mmHg |
Molecular Weight | 227.304 | Flash Point | 145.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Methyl-2-propanyl methyl(4-oxocyclohexyl)carbamate;tert-Butyl methyl(4-oxocyclohexyl)carbamate; |
Article Data | 1 |
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