Basic information
- Name:
Acetamide,N-1H-indol-5-yl-
- CAS No.:
7145-71-3
- Molecular Structure:
- Formula:
- C10H10N2O
- Molecular Weight:
- 174.2
- Synonyms:
- Acetamide,N-indol-5-yl- (8CI);Indole, 5-acetamido- (7CI);5-(Acetylamino)-1H-indole;5-Acetylaminoindole;NSC 74979;
- Density:
- 1.29g/cm3
- Boiling Point:
- 461.2 °C at 760 mmHg
- Flash Point:
- 232.7 °C
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Specification
The Acetamide,N-1H-indol-5-yl-, with CAS registry number 7145-71-3, has the systematic name of N-(1H-indol-5-yl)acetamide. Besides this, it is also called 5-Acetamidoindole. And the chemical formula of this chemical is C10H10N2O.
Physical properties of Acetamide,N-1H-indol-5-yl-: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.75; (4)ACD/LogD (pH 7.4): 0.75; (5)ACD/BCF (pH 5.5): 2.17; (6)ACD/BCF (pH 7.4): 2.17; (7)ACD/KOC (pH 5.5): 60.68; (8)ACD/KOC (pH 7.4): 60.7; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.24 Å2; (13)Index of Refraction: 1.711; (14)Molar Refractivity: 52.8 cm3; (15)Molar Volume: 134.9 cm3; (16)Polarizability: 20.93×10-24cm3; (17)Surface Tension: 59.2 dyne/cm; (18)Density: 1.29 g/cm3; (19)Flash Point: 232.7 °C; (20)Enthalpy of Vaporization: 72.21 kJ/mol; (21)Boiling Point: 461.2 °C at 760 mmHg; (22)Vapour Pressure: 1.09E-08 mmHg at 25°C.
Uses of Acetamide,N-1H-indol-5-yl-: it can be used to produce N-[3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indol-5-yl]-acηmide. This reaction will need reagent NaOMe and solvent methanol. The reaction time is 48 hour(s). The yield is about 56%.
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You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1cc2c(cc1)ncc2)C
(2)InChI: InChI=1/C10H10N2O/c1-7(13)12-9-2-3-10-8(6-9)4-5-11-10/h2-6,11H,1H3,(H,12,13)
(3)InChIKey: LEXRMCPBIULJNA-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C10H10N2O/c1-7(13)12-9-2-3-10-8(6-9)4-5-11-10/h2-6,11H,1H3,(H,12,13)
(5)Std. InChIKey: LEXRMCPBIULJNA-UHFFFAOYSA-N
