4-((2-Pyridinyl)-methoxy)acetophenone supplier

Name
4-((2-Pyridinyl)-methoxy)acetophenone
EINECS
CAS No. 50596-33-3
Article Data1
CAS DataBase
Density 1.143 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₃NO₂
Boiling Point 388.981 °C at 760 mmHg
Molecular Weight 227.263
Flash Point 189.049 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4'-(2-Pyridinylmethoxy)acetophenone;
PSA
LogP

4-((2-Pyridinyl)-methoxy)acetophenone Specification

The 4-((2-Pyridinyl)-methoxy)acetophenone, with the CAS registry number 50596-33-3, is also known as 4'-(2-Pyridinylmethoxy)acetophenone. This chemical's molecular formula is C₁₄H₁₃NO₂ and molecular weight is 227.2585. What's more, its systematic name is called 1-[4-(Pyridin-2-ylmethoxy)phenyl]ethanone.

Physical properties about 4-((2-Pyridinyl)-methoxy)acetophenone are: (1)ACD/LogP: 2.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 16; (6)ACD/BCF (pH 7.4): 16; (7)ACD/KOC (pH 5.5): 253; (8)ACD/KOC (pH 7.4): 258; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 39.19 Å²; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 65.538 cm³; (15)Molar Volume: 198.892 cm³; (16)Surface Tension: 45.1 dyne/cm; (17)Density: 1.143 g/cm³; (18)Flash Point: 189.049 °C; (19)Enthalpy of Vaporization: 63.826 kJ/mol; (20)Boiling Point: 388.981 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(=O)c2ccc(OCc1ccccn1)cc2
(2) InChI: InChI=1/C14H13NO2/c1-11(16)12-5-7-14(8-6-12)17-10-13-4-2-3-9-15-13/h2-9H,10H2,1H3
(3) InChIKey: ABDXJHZEEBMOKS-UHFFFAOYAW

Product Name

4-((2-Pyridinyl)-methoxy)acetophenone

4-((2-Pyridinyl)-methoxy)acetophenone Specification

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