CAS No.169458-04-2,ETHYL 4-PIPERIDINEACETATE HCL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	169458-04-2
Name:	ETHYL 4-PIPERIDINEACETATE HCL

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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Specification

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