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CAS No.: | 89941-07-1 |
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Name: | ETHYL-2-PIPERAZINECARBOXYLATE |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C7H14N2O2 |
Molecular Weight: | 158.2 |
Synonyms: | 2-Ethoxycarbonylpiperazine;Ethyl piperazine-2-carboxylate; |
Density: | 1.036g/cm3 |
Melting Point: | 62-64 °C(Solv: ethyl ether (60-29-7)) |
Boiling Point: | 241.364 °C at 760 mmHg |
Flash Point: | 99.774 °C |
PSA: | 50.36000 |
LogP: | -0.23150 |
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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