3-N-Boc-aminocyclohexanone supplier

Name
(3-OXO-CYCLOHEXYL)-CARBAMIC ACID TERT-BUTYL ESTER
EINECS
CAS No. 885280-38-6
Article Data7
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
Hazard Symbols
Synonyms Carbamicacid, (3-oxocyclohexyl)-, 1,1-dimethylethyl ester (9CI);(3-Oxocyclohexyl)carbamic acid tert-butyl ester;3-(((tert-Butoxy)carbonyl)amino)cyclohexanone;
PSA 55.40000
LogP 2.41370

3-N-Boc-aminocyclohexanone Specification

The 3-N-Boc-aminocyclohexanone, with the CAS registry number 885280-38-6, is also known as Carbamic acid, N-(3-oxocyclohexyl)-, 1,1-dimethylethyl ester. This chemical's molecular formula is C₁₁H₁₉NO₃ and molecular weight is 213.27. Its systematic name is called tert-butyl N-(3-oxocyclohexyl)carbamate.

Physical properties of 3-N-Boc-aminocyclohexanone: (1)ACD/LogP: 1.03; (2)ACD/LogD (pH 5.5): 1.03; (3)ACD/LogD (pH 7.4): 1.03; (4)#H bond acceptors: 4; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 3; (7)Index of Refraction: 1.474; (8)Molar Refractivity: 56.54 cm³; (9)Molar Volume: 200.9 cm³; (10)Surface Tension: 36.6 dyne/cm; (11)Density: 1.06 g/cm³; (12)Flash Point: 157 °C; (13)Enthalpy of Vaporization: 57.9 kJ/mol; (14)Boiling Point: 335.9 °C at 760 mmHg; (15)Vapour Pressure: 0.000116 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)NC1CCCC(=O)C1
(2)InChI: InChI=1/C11H19NO3/c1-11(2,3)15-10(14)12-8-5-4-6-9(13)7-8/h8H,4-7H2,1-3H3,(H,12,14)
(3)InChIKey: VGDCXKATFLOEHF-UHFFFAOYAL

Product Name

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

3-N-Boc-aminocyclohexanone Specification

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