CAS No.64995-88-6,2-(PIPERIDIN-3-YL)-ACETIC ACID ETHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	64995-88-6
Name:	2-(PIPERIDIN-3-YL)-ACETIC ACID ETHYL ESTER
Article Data:	11

Formula:	C₉H₁₇NO₂
Molecular Weight:	171.239
Synonyms:	(Piperidin-3-yl)aceticacid ethyl ester;Ethyl piperidin-3-ylacetate;Ethyl 3-piperidineacetate;Ethyl3-piperidinylacetate;2-(Piperidin-3-yl)acetic acid ethyl ester;
Density:	0.969 g/cm³
Melting Point:	90 °C(Solv: hexane (110-54-3); benzene (71-43-2)(4:1))
Boiling Point:	232.8 °C at 760 mmHg
Flash Point:	94.6 °C
Hazard Symbols:	Xi
PSA:	38.33000
LogP:	1.26800

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Specification

The IUPAC name of Ethyl piperidin-3-ylacetate is ethyl 2-piperidin-3-ylacetate. With the CAS registry number 64995-88-6, it is also named as 2-(Piperidin-3-yl)acetic acid ethyl ester. The product's category is Piperidine. In addition, its molecular formula is C₉H₁₇NO₂ and its molecular weight is 171.24.

The other characteristics of Ethyl piperidin-3-ylacetate can be summarized as: (1)ACD/LogP: 1.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.95; (4)ACD/LogD (pH 7.4): -1.78; (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: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.442; (14)Molar Refractivity: 46.77 cm³; (15)Molar Volume: 176.5 cm³; (16)Polarizability: 18.54×10^-24cm³; (17)Surface Tension: 32.4 dyne/cm; (18)Density: 0.969 g/cm³; (19)Flash Point: 94.6 °C; (20)Enthalpy of Vaporization: 46.95 kJ/mol; (21)Boiling Point: 232.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0577 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OCC)CC1CCCNC1
(2)InChI: InChI=1/C9H17NO2/c1-2-12-9(11)6-8-4-3-5-10-7-8/h8,10H,2-7H2,1H3
(3)InChIKey: RJFIWCWTENIBKC-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C9H17NO2/c1-2-12-9(11)6-8-4-3-5-10-7-8/h8,10H,2-7H2,1H3
(5)Std. InChIKey: RJFIWCWTENIBKC-UHFFFAOYSA-N