1H-Indole-6-carboxaldehyde,1-methyl- supplier

Name
1-Methyl-1H-indole-6-carbaldehyde
EINECS
CAS No. 21005-45-8
Density 1.1 g/cm³
Solubility
Melting Point 81 °C
Formula C₁₀H₉NO
Boiling Point 318.7 °C at 760 mmHg
Molecular Weight 159.18
Flash Point 146.5 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 41-52-36
Molecular Structure
Hazard Symbols Xi
Synonyms 1-Methyl-1H-indole-6-carbaldehyde;1-Methylindole-6-carbaldehyde;
PSA 22.00000
LogP 1.99080

1H-Indole-6-carboxaldehyde,1-methyl- Specification

The 1H-Indole-6-carboxaldehyde,1-methyl-, with the CAS registry number 21005-45-8, is also known as 1-Methyl-1H-indole-6-carbaldehyde. It belongs to the product categories of Aldehyde; Carbonyl Compounds; Heterocycles. This chemical's molecular formula is C₁₀H₉NO and molecular weight is 159.18. What's more, its IUPAC name is 1-methylindole-6-carbaldehyde.

Physical properties of 1H-Indole-6-carboxaldehyde,1-methyl- are: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.96; (4)ACD/LogD (pH 7.4): 1.96; (5)ACD/BCF (pH 5.5): 18.23; (6)ACD/BCF (pH 7.4): 18.23; (7)ACD/KOC (pH 5.5): 278.06; (8)ACD/KOC (pH 7.4): 278.06; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22 Å²; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 48.15 cm³; (15)Molar Volume: 143.6 cm³; (16)Polarizability: 19.08×10^-24cm³; (17)Surface Tension: 40.8 dyne/cm; (18)Density: 1.1 g/cm³; (19)Flash Point: 146.5 °C; (20)Enthalpy of Vaporization: 56.02 kJ/mol; (21)Boiling Point: 318.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000356 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccc2ccn(C)c2c1
(2)Std. InChI: InChI=1S/C10H9NO/c1-11-5-4-9-3-2-8(7-12)6-10(9)11/h2-7H,1H3
(3)Std. InChIKey: QGAKKGIWURKKHV-UHFFFAOYSA-N

Product Name

1-Methyl-1H-indole-6-carbaldehyde

1H-Indole-6-carboxaldehyde,1-methyl- Specification

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