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

Name
2-MORPHOLINOBENZOIC ACID
EINECS
CAS No. 42106-48-9
Article Data10
CAS DataBase
Density 1.253 g/cm³
Solubility
Melting Point 157 °C
Formula C₁₁H₁₃NO₃
Boiling Point 387.5 °C at 760 mmHg
Molecular Weight 207.229
Flash Point 188.2 °C
Transport Information
Appearance
Safety 26-37/39
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 2-(Morpholin-4-yl)benzoicacid;2-Morpholinobenzoic acid;
PSA 49.77000
LogP 1.28640

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

The Benzoic acid, 2-(4-morpholinyl)-, with the CAS registry number of 42106-48-9, is also known as 2-(4-Morpholinyl)benzoic Acid. It belongs to the product categories of Acids and Derivatives; Heterocycles. This chemical's molecular formula is C₁₁H₁₃NO₃ and molecular weight is 207.23. What's more, its systematic name is called 2-Morpholin-4-ylbenzoic acid. Besides, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Benzoic acid, 2-(4-morpholinyl)- are: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.71; (4)ACD/LogD (pH 7.4): -1.95; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.55; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 54.99 cm³; (15)Molar Volume: 165.2 cm³; (16)Surface Tension: 50.9 dyne/cm; (17)Density: 1.253 g/cm³; (18)Flash Point: 188.2 °C; (19)Enthalpy of Vaporization: 67.14 kJ/mol; (20)Boiling Point: 387.5 °C at 760 mmHg; (21)Vapour Pressure: 1.07E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1ccccc1N2CCOCC2
(2) InChI: InChI=1/C11H13NO3/c13-11(14)9-3-1-2-4-10(9)12-5-7-15-8-6-12/h1-4H,5-8H2,(H,13,14)
(3) InChIKey: XUBUJTVBAXQIKG-UHFFFAOYAU

Product Name

2-MORPHOLINOBENZOIC ACID

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

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