-
Name
4-(2-HYDROXYETHYL)-PIPERAZIN-1-CARBOXYLIC ACID ETHYL ESTER
- EINECS
- CAS No. 14000-66-9
- Article Data4
- CAS DataBase
- Density 1.137 g/cm3
- Solubility
- Melting Point
- Formula C9H18N2O3
- Boiling Point 317.8 °C at 760 mmHg
- Molecular Weight 202.254
- Flash Point 146 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
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Hazard Symbols
Xi
- Synonyms NSC 22152;
- PSA 53.01000
- LogP -0.37140
1-Piperazinecarboxylic acid, 4-(2-hydroxyethyl)-, ethyl ester Specification
This chemical is called 1-Piperazinecarboxylic acid, 4-(2-hydroxyethyl)-, ethyl ester, and its systematic name is ethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate. With the molecular formula of C9H18N2O3, its molecular weight is 202.25. The CAS registry number of this chemical is 14000-66-9.
Other characteristics of the 1-Piperazinecarboxylic acid, 4-(2-hydroxyethyl)-, ethyl ester can be summarised as followings: (1)ACD/LogP: -0.02; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 42.01 Å2; (7)Index of Refraction: 1.497; (8)Molar Refractivity: 52.02 cm3; (9)Molar Volume: 177.7 cm3; (10)Polarizability: 20.62×10-24cm3; (11)Surface Tension: 43.3 dyne/cm; (12)Density: 1.137 g/cm3; (13)Flash Point: 146 °C; (14)Enthalpy of Vaporization: 64.83 kJ/mol; (15)Boiling Point: 317.8 °C at 760 mmHg; (16)Vapour Pressure: 3.13E-05 mmHg at 25°C.
Production method of this chemical: The could be obtained by the reactants of carbonic acid ethyl ester 1-methoxy-vinyl ester and 2-piperazin-1-yl-ethanol. This reaction needs the solvent of CH2Cl2. The yield is 70 %. In addition, this reaction should be taken for 20 minutes at the temperature of 20 °C.
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You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)N1CCN(CCO)CC1
2.InChI: InChI=1/C9H18N2O3/c1-2-14-9(13)11-5-3-10(4-6-11)7-8-12/h12H,2-8H2,1H3
3.InChIKey: MHBJYKMWVCDLPD-UHFFFAOYAL
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