Name: (2-OXO-CYCLOHEXYL)-CARBAMIC ACID TERT-BUTYL ESTER
SKU: 291533-10-3

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Basic Information

Molecular Structure:
CAS No.:	291533-10-3
Name:	(2-OXO-CYCLOHEXYL)-CARBAMIC ACID TERT-BUTYL ESTER
Article Data:	1

Formula:	C₁₁H₁₉NO₃
Molecular Weight:	213.277
Synonyms:	Carbamicacid, (2-oxocyclohexyl)-, 1,1-dimethylethyl ester (9CI);
Density:	1.06 g/cm³
Boiling Point:	335.9 °C at 760 mmHg
Flash Point:	157 °C
PSA:	55.40000
LogP:	2.41370

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Specification

The Carbamic acid,N-(2-oxocyclohexyl)-, 1,1-dimethylethyl ester, with the CAS registry number 291533-10-3, is also known as (2-Oxocyclohexyl)carbamic acid tert-butyl ester. It belongs to the product categories of N-BOC; Pharmacetical. This chemical's molecular formula is C₁₁H₁₉NO₃ and molecular weight is 213.27. Its systematic name is called tert-butyl (2-oxocyclohexyl)carbamate.

Physical properties of Carbamic acid,N-(2-oxocyclohexyl)-, 1,1-dimethylethyl ester: (1)ACD/LogP: 1.23; (2)ACD/LogD (pH 5.5): 1.23; (3)ACD/LogD (pH 7.4): 1.23; (4)ACD/BCF (pH 5.5): 5.06; (5)ACD/BCF (pH 7.4): 5.06; (6)ACD/KOC (pH 5.5): 111.09; (7)ACD/KOC (pH 7.4): 111.08; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.474; (12)Molar Refractivity: 56.54 cm³; (13)Molar Volume: 200.9 cm³; (14)Surface Tension: 36.6 dyne/cm; (15)Density: 1.06 g/cm³; (16)Flash Point: 157 °C; (17)Enthalpy of Vaporization: 57.9 kJ/mol; (18)Boiling Point: 335.9 °C at 760 mmHg; (19)Vapour Pressure: 0.000116 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NC1C(=O)CCCC1
(2)InChI: InChI=1/C11H19NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7-9(8)13/h8H,4-7H2,1-3H3,(H,12,14)
(3)InChIKey: GHIGUHHFUUAJJN-UHFFFAOYAG