Product Name

  • Name

    (2-OXO-CYCLOHEXYL)-CARBAMIC ACID TERT-BUTYL ESTER

  • EINECS
  • CAS No. 291533-10-3
  • Article Data1
  • CAS DataBase
  • Density 1.06 g/cm3
  • Solubility
  • Melting Point
  • Formula C11H19NO3
  • Boiling Point 335.9 °C at 760 mmHg
  • Molecular Weight 213.277
  • Flash Point 157 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 291533-10-3 ((2-OXO-CYCLOHEXYL)-CARBAMIC ACID TERT-BUTYL ESTER)
  • Hazard Symbols
  • Synonyms Carbamicacid, (2-oxocyclohexyl)-, 1,1-dimethylethyl ester (9CI);
  • PSA 55.40000
  • LogP 2.41370

Carbamic acid,N-(2-oxocyclohexyl)-, 1,1-dimethylethyl ester 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

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