4-N-Cbz-cyclohexanone supplier

Name
4-N-Cbz-cyclohexanone
EINECS
CAS No. 16801-63-1
Article Data19
CAS DataBase
Density 1.17 g/cm³
Solubility
Melting Point 86-87 °C
Formula C₁₄H₁₇NO₃
Boiling Point 427.3 °C at 760 mmHg
Molecular Weight 247.294
Flash Point 212.2 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms Carbamicacid, (4-oxocyclohexyl)-, phenylmethyl ester (9CI);Cyclohexanecarbamic acid,4-oxo-, benzyl ester (8CI);(4-Oxocyclohexyl)carbamic acid benzyl ester;4-(Benzyloxycarbonylamino)cyclohexanone;Benzyl 4-oxocyclohexylcarbamate;N-(4-Oxocyclohexyl)carbamic acid benzyl ester;benzyl-4-oxo-N-cyclohexylcarbamat;
PSA 55.40000
LogP 2.81540

4-N-Cbz-cyclohexanone Specification

The Carbamic acid,N-(4-oxocyclohexyl)-, phenylmethyl ester with the CAS number 16801-63-1 is also called (4-Oxocyclohexyl)carbamic acid benzyl ester. The systematic name is benzyl (4-oxocyclohexyl)carbamate. Its molecular formula is C₁₄H₁₇NO₃. This chemical belongs to the following product categories: (1)Pharmacetical; (2)API intermediates.

The properties of the Carbamic acid,N-(4-oxocyclohexyl)-, phenylmethyl ester are: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.76; (4)ACD/LogD (pH 7.4): 1.76; (5)ACD/BCF (pH 5.5): 12.84; (6)ACD/BCF (pH 7.4): 12.84; (7)ACD/KOC (pH 5.5): 216.31; (8)ACD/KOC (pH 7.4): 216.31; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.4 Å²; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 67.35 cm³; (15)Molar Volume: 211.3 cm³; (16)Polarizability: 26.7×10^-24cm³; (17)Surface Tension: 46.4 dyne/cm; (18)Enthalpy of Vaporization: 68.22 kJ/mol; (19)Vapour Pressure: 1.66×10^-7 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC1CCC(=O)CC1)OCc2ccccc2
(2)InChI: InChI=1/C14H17NO3/c16-13-8-6-12(7-9-13)15-14(17)18-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,17)
(3)InChIKey: VHXBIBFCJISKFA-UHFFFAOYAB

Product Name

4-N-Cbz-cyclohexanone

4-N-Cbz-cyclohexanone Specification

Related Products

Hot Products