3-Morpholineaceticacid, ethyl ester supplier

Name
MORPHOLIN-3-YL-ACETIC ACID ETHYL ESTER
EINECS
CAS No. 81684-84-6
Article Data4
CAS DataBase
Density 1.033 g/cm³
Solubility
Melting Point
Formula C₈H₁₅NO₃
Boiling Point 244.38 °C at 760 mmHg
Molecular Weight 173.21
Flash Point 101.598 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Morpholin-3-ylaceticacid ethyl ester;
PSA 47.56000
LogP 0.25680

3-Morpholineaceticacid, ethyl ester Specification

The 3-Morpholineaceticacid, ethyl ester, with the CAS registry number 81684-84-6, is also known as Morpholin-3-yl-acetic acid ethyl ester. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₈H₁₅NO₃ and molecular weight is 173.21. What's more, both its IUPAC name and systematic name are the same which is called Ethyl 2-morpholin-3-ylacetate.

Physical properties about 3-Morpholineaceticacid, ethyl ester are: (1) ACD/LogP: -0.02; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 4; (4) #H bond donors: 1; (5) #Freely Rotating Bonds: 4; (6) Polar Surface Area: 47.56 Å²; (7) Index of Refraction: 1.435; (8) Molar Refractivity: 43.768 cm³; (9)Molar Volume: 167.598 cm³; (10) Surface Tension: 34.443 dyne/cm; (11) Density: 1.033 g/cm³; (12) Flash Point: 101.598 °C; (13) Enthalpy of Vaporization: 48.143 kJ/mol; (14) Boiling Point: 244.38 °C at 760 mmHg; (15) Vapour Pressure: 0.03 mmHg at 25 °C.

Preparation of : this chemical can be prepared by Malonic acid monoethyl ester with Dodecahydro-2,6,10-trioxa-4α,8α,12α-triaza-triphenylene.

This reaction needs reagent Triethylamine and solvent Acetonitrile at temperature of 55-60 °C. The reaction time is 5.5 hours. The yield is 51 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)CC1NCCOC1
(2) InChI: InChI=1/C8H15NO3/c1-2-12-8(10)5-7-6-11-4-3-9-7/h7,9H,2-6H2,1H3
(3) InChIKey: JEDBOPXFYYFSLI-UHFFFAOYAZ

Product Name

MORPHOLIN-3-YL-ACETIC ACID ETHYL ESTER

3-Morpholineaceticacid, ethyl ester Specification

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