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150114-41-3

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Basic Information
CAS No.: 150114-41-3
Name: 1-METHYLINDOLE-3-ACETAMIDE
Article Data: 9
Molecular Structure:
Molecular Structure of 150114-41-3 (1-METHYLINDOLE-3-ACETAMIDE)
Formula: C11H12N2O
Molecular Weight: 188.229
Synonyms: N-Methylindole-3-acetamide;(1-Methyl)indolyl-3-acetamide;1-Methylindole-3-acetamide;2-(1-Methyl-1H-indol-3-yl)acetamide;2-(1-Methylindol-3-yl)acetamide;
Density: 1.202 g/cm3
Melting Point: 181 °C
Boiling Point: 440.398 °C at 760 mmHg
Flash Point: 220.145 °C
Hazard Symbols: Xi
Risk Codes: 36
Safety: 26
PSA: 48.02000
LogP: 1.90640
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Specification

The 1H-Indole-3-acetamide,1-methyl-, with the CAS registry number 150114-41-3, is also known as 1-Methylindole-3-acetamide. This chemical's molecular formula is C11H12N2O and molecular weight is 188.23. Its systematic name is called 2-(1-methyl-1H-indol-3-yl)acetamide.

Physical properties of 1H-Indole-3-acetamide,1-methyl-: (1)ACD/LogP: 0.92; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 2; (5)ACD/BCF (pH 7.4): 2; (6)ACD/KOC (pH 5.5): 63; (7)ACD/KOC (pH 7.4): 63; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.615; (12)Molar Refractivity: 54.677 cm3; (13)Molar Volume: 156.601 cm3; (14)Surface Tension: 46.481 dyne/cm; (15)Density: 1.202 g/cm3; (16)Flash Point: 220.145 °C; (17)Enthalpy of Vaporization: 69.752 kJ/mol; (18)Boiling Point: 440.398 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: NC(=O)Cc2cn(C)c1ccccc12
(2)InChI: InChI=1/C11H12N2O/c1-13-7-8(6-11(12)14)9-4-2-3-5-10(9)13/h2-5,7H,6H2,1H3,(H2,12,14)
(3)InChIKey: CIUCCWRSRUINHE-UHFFFAOYAL