4-(2-Morpholin-4-yl-ethoxy)-benzoic acid supplier

Name
4-(2-Morpholin-4-yl-ethoxy)-benzoic acid
EINECS 604-604-1
CAS No. 134599-45-4
Article Data8
CAS DataBase
Density 1.213 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₇NO₄
Boiling Point 428 °C at 760 mmHg
Molecular Weight 251.282
Flash Point 212.7 °C
Transport Information
Appearance
Safety 26-39-36/37
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms Benzoic acid, 4-[2-(4-morpholinyl)ethoxy]-;
PSA 59.00000
LogP 1.03370

4-(2-Morpholin-4-yl-ethoxy)-benzoic acid Specification

The 4-(2-Morpholin-4-yl-ethoxy)-benzoic acid, with the CAS registry number 134599-45-4, is also known as Benzoic acid, 4-[2-(4-morpholinyl)ethoxy]-. This chemical's molecular formula is C₁₃H₁₇NO₄ and molecular weight is 251.28. What's more, both its IUPAC name and systematic name are the same which is called 4-(2-Morpholin-4-ylethoxy)benzoic acid. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 4-(2-Morpholin-4-yl-ethoxy)-benzoic acid are: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.84; (4)ACD/LogD (pH 7.4): -1.37; (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: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 48 Å²; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 66.12 cm³; (15)Molar Volume: 207 cm³; (16)Surface Tension: 46.9 dyne/cm; (17)Density: 1.213 g/cm³; (18)Flash Point: 212.7 °C; (19)Enthalpy of Vaporization: 72.01 kJ/mol; (20)Boiling Point: 428 °C at 760 mmHg; (21)Vapour Pressure: 4.34E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c2ccc(OCCN1CCOCC1)cc2
(2) InChI: InChI=1/C13H17NO4/c15-13(16)11-1-3-12(4-2-11)18-10-7-14-5-8-17-9-6-14/h1-4H,5-10H2,(H,15,16)
(3) InChIKey: MTTBXKVGISPBNJ-UHFFFAOYAO

Product Name

4-(2-Morpholin-4-yl-ethoxy)-benzoic acid

4-(2-Morpholin-4-yl-ethoxy)-benzoic acid Specification

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