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CAS No.: | 2452-25-7 |
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Name: | 2-(5-METHOXY-1H-INDOL-3-YL)-ACETAMIDE |
Molecular Structure: | |
Formula: | C11H12N2O2 |
Molecular Weight: | 204.228 |
Synonyms: | 2-(5-Methoxy-1H-indol-3-yl)acetamide;5-Methoxyindole-3-acetamine; |
Density: | 1.28 g/cm3 |
Melting Point: | 183 °C |
Boiling Point: | 495.5 °C at 760 mmHg |
Flash Point: | 253.5 °C |
PSA: | 68.11000 |
LogP: | 1.90460 |
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The 1H-Indole-3-acetamide,5-methoxy-, with the CAS registry number 2452-25-7, is also known as 5-Methoxyindole-3-acetamine. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C11H12N2O2 and molecular weight is 204.23. What's more, its systematic name is 2-(5-methoxy-1H-indol-3-yl)acetamide.
Physical properties of 1H-Indole-3-acetamide,5-methoxy- are: (1)ACD/LogP: 0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.29; (4)ACD/LogD (pH 7.4): 0.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34.2; (8)ACD/KOC (pH 7.4): 34.2; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 34.47 Å2; (13)Index of Refraction: 1.652; (14)Molar Refractivity: 58.32 cm3; (15)Molar Volume: 159.4 cm3; (16)Polarizability: 23.12×10-24cm3; (17)Surface Tension: 56.9 dyne/cm; (18)Density: 1.28 g/cm3; (19)Flash Point: 253.5 °C; (20)Enthalpy of Vaporization: 76.31 kJ/mol; (21)Boiling Point: 495.5 °C at 760 mmHg; (22)Vapour Pressure: 5.86E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)Cc2c1cc(OC)ccc1nc2
(2)Std. InChI: InChI=1S/C11H12N2O2/c1-15-8-2-3-10-9(5-8)7(6-13-10)4-11(12)14/h2-3,5-6,13H,4H2,1H3,(H2,12,14)
(3)Std. InChIKey: ISKLKIWPGSGBNF-UHFFFAOYSA-N