1H-Indole-4-methanol,1-methyl- supplier

Name
1H-Indole-4-methanol,1-methyl-
EINECS
CAS No. 859850-95-6
Density 1.12 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₁NO
Boiling Point 338.8 °C at 760 mmHg
Molecular Weight 161.20044
Flash Point 158.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (1-METHYL-1H-INDOL-4-YL)METHANOL;(1-methyl-1H-indol-4-yl)methanol(SALTDATA: FREE)
PSA
LogP

1H-Indole-4-methanol,1-methyl- Specification

The 1H-Indole-4-methanol,1-methyl-, with CAS registry number 859850-95-6, has the systematic name of (1-methyl-1H-indol-4-yl)methanol. Besides this, it is also called (1-methylindol-4-yl)methan-1-ol. And the chemical formula of this chemical is C₁₀H₁₁NO.

Physical properties of 1H-Indole-4-methanol,1-methyl-: (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: OCc2cccc1c2ccn1C
(2)InChI: InChI=1/C10H11NO/c1-11-6-5-9-8(7-12)3-2-4-10(9)11/h2-6,12H,7H2,1H3
(3)InChIKey: HRDMALIGWIPQLM-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C10H11NO/c1-11-6-5-9-8(7-12)3-2-4-10(9)11/h2-6,12H,7H2,1H3
(5)Std. InChIKey: HRDMALIGWIPQLM-UHFFFAOYSA-N

Product Name

1H-Indole-4-methanol,1-methyl-

1H-Indole-4-methanol,1-methyl- Specification

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