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

Name
(1-Methyl-1H-indol-6-yl)methanol
EINECS
CAS No. 199590-00-6
Article Data3
CAS DataBase
Density 1.12 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₁NO
Boiling Point 338.8 °C at 760 mmHg
Molecular Weight 161.203
Flash Point 158.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (1-Methyl-1H-indol-6-yl)methanol;(1-methylindol-6-yl)methan-1-ol;
PSA 25.16000
LogP 1.67060

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

The 1H-Indole-6-methanol,1-methyl-, with the CAS registry number 199590-00-6, is also known as (1-Methyl-1H-indol-6-yl)methanol. It belongs to the product categories of Alcohols and Derivatives; Heterocycles. This chemical's molecular formula is C₁₀H₁₁NO and molecular weight is 161.20. What's more, its IUPAC name is (1-methylindol-6-yl)methanol.

Physical properties of 1H-Indole-6-methanol,1-methyl- are: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.36; (4)ACD/LogD (pH 7.4): 1.36; (5)ACD/BCF (pH 5.5): 6.32; (6)ACD/BCF (pH 7.4): 6.32; (7)ACD/KOC (pH 5.5): 130.26; (8)ACD/KOC (pH 7.4): 130.26; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 25.16 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: 1.12 g/cm³; (19)Flash Point: 158.7 °C; (20)Enthalpy of Vaporization: 61.45 kJ/mol; (21)Boiling Point: 338.8 °C at 760 mmHg; (22)Vapour Pressure: 3.73E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCc1ccc2ccn(C)c2c1
(2)Std. InChI: InChI=1S/C10H11NO/c1-11-5-4-9-3-2-8(7-12)6-10(9)11/h2-6,12H,7H2,1H3
(3)Std. InChIKey: YDMPSBJXPPXTCM-UHFFFAOYSA-N

Product Name

(1-Methyl-1H-indol-6-yl)methanol

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

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