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81290-45-1

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Basic Information
CAS No.: 81290-45-1
Name: 2-(Piperidin-3-yl)-acetic acid ethyl ester
Article Data: 11
Molecular Structure:
Molecular Structure of 81290-45-1 (2-(Piperidin-3-yl)-acetic acid ethyl ester)
Formula: C9H17NO2
Molecular Weight: 171.239
Synonyms: PIPERIDIN-3-YL-ACETIC ACID ETHYL ESTER
Density: 0.969 g/cm3
Boiling Point: 232.8 °C at 760 mmHg
Flash Point: 94.6 °C
PSA: 38.33000
LogP: 1.26800
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Specification

The CAS registry number of 2-(Piperidin-3-yl)-acetic acid ethyl ester is 81290-45-1. This chemical's molecular formula is C9H17NO2 and molecular weight is 171.24. Its systematic name is called ethyl piperidin-3-ylacetate.

Physical properties about this chemical are: (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)Index of Refraction: 1.442; (13)Molar Refractivity: 46.77 cm3; (14)Molar Volume: 176.5 cm3; (15)Surface Tension: 32.4 dyne/cm; (16) Density: 0.969 g/cm3; (17)Flash Point: 94.6 °C; (18)Enthalpy of Vaporization: 46.95 kJ/mol; (19)Boiling Point: 232.8 °C at 760 mmHg; (20)Vapour Pressure: 0.0577 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)CC1CCCNC1C
(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