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

Name
AFMK
EINECS
CAS No. 52450-38-1
Article Data7
CAS DataBase
Density 1.216 g/cm³
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
Hazard Symbols T
Synonyms AFMK;N1-Acetyl-N2-formyl-5-methoxykynuramine;NSC 688263;
PSA 84.50000
LogP 2.07220

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

Product Name

AFMK

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

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