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408356-04-7

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Basic Information
CAS No.: 408356-04-7
Name: 3-(1H-indol-7-yl)propan-1-ol
Article Data: 2
Molecular Structure:
Molecular Structure of 408356-04-7 (3-(1H-indol-7-yl)propan-1-ol)
Formula: C11H13NO
Molecular Weight: 175.23
Synonyms: 1H-Indole-7-propanol
Density: 1.2±0.1 g/cm3
Boiling Point: 377.7±17.0 °C at 760 mmHg
Flash Point: 182.3±20.9 °C
PSA: 36.02000
LogP: 2.09280
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    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemicals. W

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Specification

3-(1H-indol-7-yl)propan-1-ol, with the CAS registry number 408356-04-7, is also named as 1H-Indole-7-propanol. This chemical's molecular formula is C11H13NO and molecular weight is 175.23. What's more, its systematic name is 3-(1H-Indol-7-yl)-1-propanol. 

Physical properties of 3-(1H-indol-7-yl)propan-1-ol are: (1)ACD/LogP: 1.80±0.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.80; (4)ACD/LogD (pH 7.4): 1.80; (5)ACD/BCF (pH 5.5): 13.82; (6)ACD/BCF (pH 7.4): 13.82; (7)ACD/KOC (pH 5.5): 228.00; (8)ACD/KOC (pH 7.4): 228.00; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 36.02 Å2; (13)Index of Refraction: 1.65; (14)Molar Refractivity: 54.2±0.3 cm3; (15)Molar Volume: 148.7±3.0 cm3; (16)Polarizability: 21.5±0.5×10-24cm3; (17)Surface Tension: 54.4±3.0 dyne/cm; (18)Density: 1.2±0.1 g/cm3; (19)Flash Point: 182.3±20.9 °C; (20)Enthalpy of Vaporization: 66.0±3.0 kJ/mol; (21)Boiling Point: 377.7±17.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±0.9 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2cc[nH]c2c(c1)CCCO
(2)Std. InChI: InChI=1S/C11H13NO/c13-8-2-5-9-3-1-4-10-6-7-12-11(9)10/h1,3-4,6-7,12-13H,2,5,8H2
(3)Std. InChIKey: JNCJEZANUKZTMJ-UHFFFAOYSA-N