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Acetamide,N-[3-[2-(formylamino)-5-methoxyphenyl]-3-oxopropyl]-

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Name

Acetamide,N-[3-[2-(formylamino)-5-methoxyphenyl]-3-oxopropyl]-

EINECS N/A
CAS No. 52450-38-1 Density 1.216 g/cm3
PSA 84.50000 LogP 2.07220
Solubility DMSO: >10 mg/mL Melting Point 138-140 °C
Formula C13H16N2O4 Boiling Point 589.4 °C at 760 mmHg
Molecular Weight 264.281 Flash Point 310.3 °C
Transport Information UN 2811 6.1/PG 3 Appearance light brown solid
Safety 45 Risk Codes 25
Molecular Structure Molecular Structure of 52450-38-1 (AFMK) Hazard Symbols ToxicT
Synonyms

AFMK;N1-Acetyl-N2-formyl-5-methoxykynuramine;NSC 688263;

Article Data 7

Acetamide,N-[3-[2-(formylamino)-5-methoxyphenyl]-3-oxopropyl]- 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

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