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ethyl-2-piperazinecarboxylate (89941-07-1)

Identification
Name:ethyl-2-piperazinecarboxylate
Synonyms:2-piperazinecarboxylicacid,ethylester(6ci,7ci,9ci); ethyl piperazine-2-carboxylate
CAS:89941-07-1
Molecular Formula: C7H14N2O2
Molecular Weight: 158.2
InChI: InChI=1/C7H14N2O2/c1-2-11-7(10)6-5-8-3-4-9-6/h6,8-9H,2-5H2,1H3
Molecular Structure: (C7H14N2O2) 2-piperazinecarboxylicacid,ethylester(6ci,7ci,9ci); ethyl piperazine-2-carboxylate
Properties
Density:1.036g/cm3
Refractive index:1.446
Specification:

The Ethyl 2-piperazinecarboxylate, with cas registry number 89941-07-1, belongs to the following product categories: (1)PIPERIDINE; (2)pharmacetical. Its systematic name and its IUPAC name are the same one, which is ethyl piperazine-2-carboxylate. Besides this, it is also called 2-piperazinecarboxylic acid, ethyl ester.

Physical properties about this chemical are: (1)ACD/LogP: -0.94; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 50.36 Å2; (11)Index of Refraction: 1.446; (12)Molar Refractivity: 40.727 cm3; (13)Molar Volume: 152.639 cm3; (14)Polarizability: 16.145×10-24cm3; (15)Surface Tension: 31.2 dyne/cm; (16)Enthalpy of Vaporization: 47.831 kJ/mol; (17)Vapour Pressure: 0.036 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C(OCC)C1NCCNC1
(2)InChI: InChI=1/C7H14N2O2/c1-2-11-7(10)6-5-8-3-4-9-6/h6,8-9H,2-5H2,1H3
(3)InChIKey: XWZHSYWFWDKJHI-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C7H14N2O2/c1-2-11-7(10)6-5-8-3-4-9-6/h6,8-9H,2-5H2,1H3
(5)Std. InChIKey: XWZHSYWFWDKJHI-UHFFFAOYSA-N

Safety Data
 

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