Product Name

  • Name

    3-(PIPERAZIN-1-YL)PROPIONIC ACID ETHYL ESTER

  • EINECS
  • CAS No. 43032-38-8
  • Article Data3
  • CAS DataBase
  • Density 1.011 g/cm3
  • Solubility
  • Melting Point
  • Formula C9H18N2O2
  • Boiling Point 278.6 ºC at 760 mmHg
  • Molecular Weight 186.25
  • Flash Point 122.3 ºC
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 43032-38-8 (3-(PIPERAZIN-1-YL)PROPIONIC ACID ETHYL ESTER)
  • Hazard Symbols IrritantXi
  • Synonyms 1-(2-Carbethoxyethyl)piperazine;3-(1-Piperazinyl)propionic acid ethyl ester;Ethyl 3-(piperazin-1-yl)propanoate;3-(Piperazin-1-yl)propionic acid ethyl ester;
  • PSA 41.57000
  • LogP 0.11150

Ethyl 3-(piperazin-1-yl)propanoate Specification

The IUPAC name of Ethyl 3-(piperazin-1-yl)propanoate is ethyl 3-piperazin-1-ylpropanoate. With the CAS registry number 43032-38-8, it is also named as 3-(Piperazin-1-yl)propionic acid ethyl ester. The product's categories are Pharmaceutical Intermediates; Piperazines. In addition, its molecular formula is C9H18N2O2 and its molecular weight is 186.25.

The other characteristics of Ethyl 3-(piperazin-1-yl)propanoate can be summarized as: (1)ACD/LogP: 0.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.37; (4)ACD/LogD (pH 7.4): -1.11; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 32.78 Å2; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 50.36 cm3; (15)Molar Volume: 184.1 cm3; (16)Polarizability: 19.96×10-24cm3; (17)Surface Tension: 32.9 dyne/cm; (18)Density: 1.011 g/cm3; (19)Flash Point: 122.3 °C; (20)Enthalpy of Vaporization: 51.72 kJ/mol; (21)Boiling Point: 278.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00423 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OCC)CCN1CCNCC1
(2)InChI: InChI=1/C9H18N2O2/c1-2-13-9(12)3-6-11-7-4-10-5-8-11/h10H,2-8H2,1H3
(3)InChIKey: XCLNGVSHLDOGFR-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C9H18N2O2/c1-2-13-9(12)3-6-11-7-4-10-5-8-11/h10H,2-8H2,1H3
(5)Std. InChIKey: XCLNGVSHLDOGFR-UHFFFAOYSA-N

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