The (S)-1-N-Boc-2-ethylpiperazine, with the CAS registry number 325145-35-5, has the systematic name of tert-butyl (2S)-2-ethylpiperazine-1-carboxylate. And the molecular formula of this chemical is C11H22N2O2. It belongs to the following product categories: Pyrans, Piperidines & Piperazines; Piperaizine; Pyrans, Piperidines & Piperazines.
The physical properties of (S)-1-N-Boc-2-ethylpiperazine are as following: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1.32; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 5.2; (6)ACD/KOC (pH 5.5): 2.82; (7)ACD/KOC (pH 7.4): 95.92; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 41.57 Å2; (12)Index of Refraction: 1.457; (13)Molar Refractivity: 59.5 cm3; (14)Molar Volume: 218.3 cm3; (15)Polarizability: 23.58×10-24cm3; (16)Surface Tension: 31 dyne/cm; (17)Density: 0.981 g/cm3; (18)Flash Point: 127.2 °C; (19)Enthalpy of Vaporization: 52.58 kJ/mol; (20)Boiling Point: 286.7 °C at 760 mmHg; (21)Vapour Pressure: 0.0026 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC[C@H]1CNCCN1C(=O)OC(C)(C)C
(2)InChI: InChI=1/C11H22N2O2/c1-5-9-8-12-6-7-13(9)10(14)15-11(2,3)4/h9,12H,5-8H2,1-4H3/t9-/m0/s1
(3)InChIKey: CTCGRXDGXGUOTE-VIFPVBQEBX
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View