Methanone, (4-hydroxyphenyl)-4-morpholinyl- supplier

Name
CHEMBRDG-BB 5581642
EINECS
CAS No. 18137-25-2
Article Data10
CAS DataBase
Density 1.263 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₃NO₃
Boiling Point 422.6 °C at 760 mmHg
Molecular Weight 207.229
Flash Point 209.4 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols
Synonyms (4-Hydroxyphenyl)(morpholin-4-yl)methanone;
PSA 49.77000
LogP 0.80250

Methanone, (4-hydroxyphenyl)-4-morpholinyl- Specification

The Methanone, (4-hydroxyphenyl)-4-morpholinyl-, with the CAS registry number of 18137-25-2, is also known as (4-Hydroxyphenyl)(morpholin-4-yl)methanone. Its molecular formula is C₁₁H₁₃NO₃ and molecular weight is 207.23. What's more, its systematic name is 4-(Morpholin-4-ylcarbonyl)phenol.

Physical properties about the Methanone, (4-hydroxyphenyl)-4-morpholinyl- are: (1)ACD/LogP: -0.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.47; (4)ACD/LogD (pH 7.4): -0.5; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.16; (8)ACD/KOC (pH 7.4): 12.31; (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: 1.587; (14)Molar Refractivity: 55.14 cm³; (15)Molar Volume: 164 cm³; (16)Surface Tension: 52.5 dyne/cm; (17)Density: 1.263 g/cm³; (18)Flash Point: 209.4 °C; (19)Enthalpy of Vaporization: 70.3 kJ/mol; (20)Boiling Point: 422.6 °C at 760 mmHg; (21)Vapour Pressure: 9.71E-08 mmHg at 25 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce 4-Guanidino-benzoic acid 4-(morpholine-4-carbonyl)-phenyl ester; compound with Methanesulfonic acid. This reaction needs reagents Pyridine, Dicyclohexylcarbodiimide. The yield is about 48 %.

The Methanone, (4-hydroxyphenyl)-4-morpholinyl- can react with 4-Guanidino-benzoic acid; compound with Methanesulfonic acid to get 4-Guanidino-benzoic acid 4-(morpholine-4-carbonyl)-phenyl ester; compound with Methanesulfonic acid

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(O)cc1)N2CCOCC2
(2) InChI: InChI=1/C11H13NO3/c13-10-3-1-9(2-4-10)11(14)12-5-7-15-8-6-12/h1-4,13H,5-8H2
(3) InChIKey: GJHYHTYGGHFYNN-UHFFFAOYAL

Product Name

CHEMBRDG-BB 5581642

Methanone, (4-hydroxyphenyl)-4-morpholinyl- Specification

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