CAS No.52450-38-1,AFMK Suppliers

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Basic Information

Molecular Structure:
CAS No.:	52450-38-1
Name:	AFMK
Article Data:	7

Formula:	C₁₃H₁₆N₂O₄
Molecular Weight:	264.281
Synonyms:	AFMK;N1-Acetyl-N2-formyl-5-methoxykynuramine;NSC 688263;
Density:	1.216 g/cm³
Melting Point:	138-140 °C
Boiling Point:	589.4 °C at 760 mmHg
Flash Point:	310.3 °C
Solubility:	DMSO: >10 mg/mL
Appearance:	light brown solid
Hazard Symbols:	T
Risk Codes:	25
Safety:	45
Transport Information:	UN 2811 6.1/PG 3
PSA:	84.50000
LogP:	2.07220

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Specification

The Acetamide,N-[3-[2-(formylamino)-5-methoxyphenyl]-3-oxopropyl]-, with the CAS registry number 52450-38-1, is also known as AFMK. It belongs to the product categories of Various Metabolites and Impurities; Metabolites. This chemical's molecular formula is C₁₃H₁₆N₂O₄ and molecular weight is 264.27714. Its IUPAC name is called N-[3-(2-formamido-5-methoxyphenyl)-3-oxopropyl]acetamide.

Physical properties of Acetamide,N-[3-[2-(formylamino)-5-methoxyphenyl]-3-oxopropyl]-: (1)ACD/LogP: 0.82; (2)ACD/LogD (pH 5.5): 0.82; (3)ACD/LogD (pH 7.4): 0.82; (4)ACD/BCF (pH 5.5): 2.48; (5)ACD/BCF (pH 7.4): 2.48; (6)ACD/KOC (pH 5.5): 66.64; (7)ACD/KOC (pH 7.4): 66.64; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.56; (12)Molar Refractivity: 70.27 cm³; (13)Molar Volume: 217.1 cm³; (14)Surface Tension: 47.1 dyne/cm; (15)Density: 1.216 g/cm³; (16)Flash Point: 310.3 °C; (17)Enthalpy of Vaporization: 87.97 kJ/mol; (18)Boiling Point: 589.4 °C at 760 mmHg; (19)Vapour Pressure: 7.17E-14 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical that at low levels can cause damage to health. It is toxic if swallowed. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)NCCC(=O)C1=C(C=CC(=C1)OC)NC=O
(2)InChI: InChI=1S/C13H16N2O4/c1-9(17)14-6-5-13(18)11-7-10(19-2)3-4-12(11)15-8-16/h3-4,7-8H,5-6H2,1-2H3,(H,14,17)(H,15,16)
(3)InChIKey: JYWNYMJKURVPFH-UHFFFAOYSA-N