CAS No.43032-38-8,3-(PIPERAZIN-1-YL)PROPIONIC ACID ETHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	43032-38-8
Name:	3-(PIPERAZIN-1-YL)PROPIONIC ACID ETHYL ESTER
Article Data:	3

Formula:	C₉H₁₈N₂O₂
Molecular Weight:	186.25
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;
Density:	1.011 g/cm³
Boiling Point:	278.6 ºC at 760 mmHg
Flash Point:	122.3 ºC
Hazard Symbols:	Xi
PSA:	41.57000
LogP:	0.11150

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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