4-(N-Boc-N-methylamino)cyclohexanone supplier

Name
Carbamic acid, methyl(4-oxocyclohexyl)-, 1,1-dimethylethyl ester
EINECS
CAS No. 400899-84-5
Article Data1
CAS DataBase
Density 1.05 g/cm³
Solubility
Melting Point
Formula C₁₂H₂₁NO₃
Boiling Point 316.6 °C at 760 mmHg
Molecular Weight 227.304
Flash Point 145.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Methyl-2-propanyl methyl(4-oxocyclohexyl)carbamate;tert-Butyl methyl(4-oxocyclohexyl)carbamate;
PSA 46.61000
LogP 2.36500

4-(N-Boc-N-methylamino)cyclohexanone Specification

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

Product Name

Carbamic acid, methyl(4-oxocyclohexyl)-, 1,1-dimethylethyl ester

4-(N-Boc-N-methylamino)cyclohexanone Specification

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