1H-Indole-4-methanol,6-(decylamino)- supplier

Name
6-(N-DECYLAMINO)-4-HYDROXYMETHYLINDOLE
EINECS
CAS No. 123597-55-7
Density 1.066 g/cm³
Solubility
Melting Point
Formula C₁₉H₃₀N₂O
Boiling Point 508.5 °C at 760 mmHg
Molecular Weight 302.45
Flash Point 261.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-(N-Decylamino)-4-hydroxymethylindole;
PSA 48.05000
LogP 5.28580

1H-Indole-4-methanol,6-(decylamino)- Specification

The 1H-Indole-4-methanol,6-(decylamino)-, with the CAS registry number 123597-55-7, is also known as 6-(N-Decylamino)-4-hydroxymethylindole. This chemical's molecular formula is C₁₉H₃₀N₂O and molecular weight is 302.45. What's more, its IUPAC name is [6-(decylamino)-1H-indol-4-yl]methanol.

Physical properties of 1H-Indole-4-methanol,6-(decylamino)- are: (1)ACD/LogP: 5.12; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.32; (4)ACD/LogD (pH 7.4): 5.09; (5)ACD/BCF (pH 5.5): 728.5; (6)ACD/BCF (pH 7.4): 4278.17; (7)ACD/KOC (pH 5.5): 2311.89; (8)ACD/KOC (pH 7.4): 13576.65; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 17.4 Å²; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 96.28 cm³; (15)Molar Volume: 283.7 cm³; (16)Polarizability: 38.17×10^-24cm³; (17)Surface Tension: 46.5 dyne/cm; (18)Density: 1.066 g/cm³; (19)Flash Point: 261.3 °C; (20)Enthalpy of Vaporization: 82 kJ/mol; (21)Boiling Point: 508.5 °C at 760 mmHg; (22)Vapour Pressure: 3.66E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCc1cc(cc2c1ccn2)NCCCCCCCCCC
(2)Std. InChI: InChI=1S/C19H30N2O/c1-2-3-4-5-6-7-8-9-11-20-17-13-16(15-22)18-10-12-21-19(18)14-17/h10,12-14,20-22H,2-9,11,15H2,1H3
(3)Std. InChIKey: CHLOVPDKABYEDC-UHFFFAOYSA-N

Product Name

6-(N-DECYLAMINO)-4-HYDROXYMETHYLINDOLE

1H-Indole-4-methanol,6-(decylamino)- Specification

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