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CAS No.: | 23659-87-2 |
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Name: | 4,6-DIMETHOXYINDOLE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C10H11NO2 |
Molecular Weight: | 177.2 |
Synonyms: | 4,6-Dimethoxyindole; |
Density: | 1.182 g/cm3 |
Melting Point: | 122-124 °C |
Boiling Point: | 343.8 °C at 760 mmHg |
Flash Point: | 125.7 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26 |
PSA: | 34.25000 |
LogP: | 2.18510 |
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The 1H-Indole,4,6-dimethoxy-, with the CAS registry number of 23659-87-2, is also known as 4,6-Dimethoxyindole. It belongs to the product categories of Indoles and derivatives; Building Blocks; Heterocyclic Building Blocks; Indoles. This chemical's molecular formula is C10H11NO2 and molecular weight is 177.2. What's more, its systematic name is 4,6-Dimethoxy-1H-indole.
Physical properties about the 1H-Indole,4,6-dimethoxy- are: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 23.39 Å2; (7)Index of Refraction: 1.608; (8)Molar Refractivity: 51.88 cm3; (9)Molar Volume: 149.8 cm3; (10)Surface Tension: 43.1 dyne/cm; (11)Density: 1.182 g/cm3; (12)Flash Point: 125.7 °C; (13)Enthalpy of Vaporization: 56.45 kJ/mol; (14)Boiling Point: 343.8 °C at 760 mmHg; (15)Vapour Pressure: 0.000137 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O(c1cc2c(c(OC)c1)ccn2)C
(2) InChI: InChI=1/C10H11NO2/c1-12-7-5-9-8(3-4-11-9)10(6-7)13-2/h3-6,11H,1-2H3
(3) InChIKey: NRQBTNARWALYSB-UHFFFAOYAH