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CAS No.: | 169458-04-2 |
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Name: | ETHYL 4-PIPERIDINEACETATE HCL |
Molecular Structure: | |
Formula: | C9H18ClNO2 |
Molecular Weight: | 207.6977 |
Synonyms: | 4-Piperidineaceticacid, ethyl ester, hydrochloride (9CI);Ethyl 2-(4-piperidyl)acetatehydrochloride;Piperidin-4-yl-acetic acid ethyl ester hydrochloride; |
EINECS: | 200-110-4 |
Boiling Point: | 271.2 °C at 760 mmHg |
Flash Point: | 117.8 °C |
PSA: | 38.33000 |
LogP: | 2.07000 |
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The 4-Piperidineaceticacid, ethyl ester, hydrochloride (1:1), with CAS registry number 169458-04-2, has the systematic name of 4-(2-ethoxy-2-oxoethyl)piperidinium chloride. Besides this, it is also called Ethyl 4-piperidineacetate hcl. And the chemical formula of this chemical is C9H18ClNO2.
Physical properties of 4-Piperidineaceticacid, ethyl ester, hydrochloride (1:1): (1)ACD/LogP: 1.19; (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: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 30.74 Å2; (11)Flash Point: 117.8 °C; (12)Enthalpy of Vaporization: 51.96 kJ/mol; (13)Boiling Point: 271.2 °C at 760 mmHg; (14)Vapour Pressure: 0.00508 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].O=C(CC1CC[NH2+]CC1)OCC
(2)InChI: InChI=1/C9H17NO2.ClH/c1-2-12-9(11)7-8-3-5-10-6-4-8;/h8,10H,2-7H2,1H3;1H
(3)InChIKey: RBESFTPUTXOFCD-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C9H17NO2.ClH/c1-2-12-9(11)7-8-3-5-10-6-4-8;/h8,10H,2-7H2,1H3;1H
(5)Std. InChIKey: RBESFTPUTXOFCD-UHFFFAOYSA-N