6-Benzyloxyindole-3-acetonitrile supplier

Name
6-Benzyloxyindole-3-acetonitrile
EINECS
CAS No. 57765-24-9
Article Data5
CAS DataBase
Density 1.232 g/cm³
Solubility
Melting Point 130-133°C
Formula C₁₇H₁₄N₂O
Boiling Point 502.3 °C at 760 mmHg
Molecular Weight 262.311
Flash Point 257.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms [6-(Benzyloxy)-1H-indol-3-yl]acetonitrile;
PSA 48.81000
LogP 3.81298

6-Benzyloxyindole-3-acetonitrile Specification

The CAS registry number of 6-Benzyloxyindole-3-acetonitrile is 57765-24-9. It belongs to the product category of Aromatic Nitriles. In addition, its molecular formula is C₁₇H₁₄N₂O and molecular weight is 262.31. Its systematic name is called [6-(Benzyloxy)-1H-indol-3-yl]acetonitrile.

Physical properties about this chemical are: (1)ACD/LogP: 2.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.88; (4)ACD/LogD (pH 7.4): 2.88; (5)ACD/BCF (pH 5.5): 91.57; (6)ACD/BCF (pH 7.4): 91.57; (7)ACD/KOC (pH 5.5): 882.74; (8)ACD/KOC (pH 7.4): 882.74; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.666; (13)Molar Refractivity: 79.15 cm³; (14)Molar Volume: 212.7 cm³; (15)Surface Tension: 56.9 dyne/cm; (16)Density: 1.232 g/cm³; (17)Flash Point: 257.6 °C; (18)Enthalpy of Vaporization: 77.13 kJ/mol; (19)Boiling Point: 502.3 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCc3c2ccc(OCc1ccccc1)cc2nc3
(2)InChI: InChI=1/C17H14N2O/c18-9-8-14-11-19-17-10-15(6-7-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,19H,8,12H2
(3)InChIKey: HJHSSPILWGQJSG-UHFFFAOYAP

Product Name

6-Benzyloxyindole-3-acetonitrile

6-Benzyloxyindole-3-acetonitrile Specification

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