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| CAS No.: | 3377-71-7 |
|---|---|
| Name: | 1-BENZYLINDOLE |
| Molecular Structure: | |
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| Formula: | C15H13N |
| Molecular Weight: | 207.275 |
| Synonyms: | Indole,1-benzyl- (6CI,7CI,8CI);1-(Phenylmethyl)-1H-indole;1-Benzyl-1H-indole;1-Benzylindole;N-Benzylindole;NSC 93216; |
| Density: | 1.03 g/cm3 |
| Melting Point: | 45.8°C |
| Boiling Point: | 376 °C at 760 mmHg |
| Flash Point: | 181.2 °C |
| PSA: | 4.93000 |
| LogP: | 3.68960 |
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Specification
The 1-Benzyl-1H-indole is an organic compound with the formula C15H13N. The systematic name of this chemical is 1-benzyl-1H-indole. With the CAS registry number 3377-71-7, it is also named as N-Benzylindole. Besides, it should be stored in a dark closed and dry place.
Physical properties about 1-Benzyl-1H-indole are: (1)ACD/LogP: 4.25; (2)ACD/LogD (pH 5.5): 4.25; (3)ACD/LogD (pH 7.4): 4.25; (4)ACD/BCF (pH 5.5): 993.89; (5)ACD/BCF (pH 7.4): 993.89; (6)ACD/KOC (pH 5.5): 4865.12; (7)ACD/KOC (pH 7.4): 4865.12; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 4.93 Å2; (11)Index of Refraction: 1.597; (12)Molar Refractivity: 67.98 cm3; (13)Molar Volume: 199.3 cm3; (14)Polarizability: 26.95×10-24cm3; (15)Surface Tension: 40.6 dyne/cm; (16)Density: 1.03 g/cm3; (17)Flash Point: 181.2 °C; (18)Enthalpy of Vaporization: 59.91 kJ/mol; (19)Boiling Point: 376 °C at 760 mmHg; (20)Vapour Pressure: 1.62E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by indole and chloromethyl-benzene. This reaction will need reagent liquid ammonia and sodium amide.
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Uses of 1-Benzyl-1H-indole: it can be used to produce (1-benzyl-indol-3-yl)-oxoacetyl chloride. It will need reagent diethyl ether.
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You can still convert the following datas into molecular structure:
(1)SMILES: c1cccc2c1ccn2Cc3ccccc3
(2)InChI: InChI=1/C15H13N/c1-2-6-13(7-3-1)12-16-11-10-14-8-4-5-9-15(14)16/h1-11H,12H2
(3)InChIKey: NJZQOCCEDXRQJM-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C15H13N/c1-2-6-13(7-3-1)12-16-11-10-14-8-4-5-9-15(14)16/h1-11H,12H2
(5)Std. InChIKey: NJZQOCCEDXRQJM-UHFFFAOYSA-N