Benzoic acid,2-(4-morpholinyl)-, ethyl ester supplier

Name
2-MORPHOLIN-4-YL-BENZOIC ACID ETHYL ESTER
EINECS
CAS No. 192817-79-1
Article Data8
CAS DataBase
Density 1.135 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₇NO₃
Boiling Point 369.6 °C at 760 mmHg
Molecular Weight 235.283
Flash Point 177.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(Morpholin-4-yl)benzoicacid ethyl ester;Ethyl 2-morpholinobenzoate;
PSA 38.77000
LogP 1.76490

Benzoic acid,2-(4-morpholinyl)-, ethyl ester Specification

The Benzoic acid,2-(4-morpholinyl)-, ethyl ester, with the CAS registry number 192817-79-1, is also known as 2-Morpholin-4-yl-benzoic acid ethyl ester. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₁₃H₁₇NO₃ and molecular weight is 235.27898. Its IUPAC name is called ethyl 2-morpholin-4-ylbenzoate.

Physical properties of Benzoic acid,2-(4-morpholinyl)-, ethyl ester: (1)ACD/LogP: 1.87; (2)ACD/LogD (pH 5.5): 1.86; (3)ACD/LogD (pH 7.4): 1.87; (4)ACD/BCF (pH 5.5): 15.09; (5)ACD/BCF (pH 7.4): 15.47; (6)ACD/KOC (pH 5.5): 241.14; (7)ACD/KOC (pH 7.4): 247.21; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.534; (11)Molar Refractivity: 64.46 cm³; (12)Molar Volume: 207.1 cm³; (13)Surface Tension: 41.2 dyne/cm; (14)Density: 1.135 g/cm³; (15)Flash Point: 177.3 °C; (16)Enthalpy of Vaporization: 61.64 kJ/mol; (17)Boiling Point: 369.6 °C at 760 mmHg; (18)Vapour Pressure: 1.17E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1=CC=CC=C1N2CCOCC2
(2)InChI: InChI=1S/C13H17NO3/c1-2-17-13(15)11-5-3-4-6-12(11)14-7-9-16-10-8-14/h3-6H,2,7-10H2,1H3
(3)InChIKey: UIVDSGDHUXOYDW-UHFFFAOYSA-N

Product Name

2-MORPHOLIN-4-YL-BENZOIC ACID ETHYL ESTER

Benzoic acid,2-(4-morpholinyl)-, ethyl ester Specification

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