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16066-93-6

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Basic Information
CAS No.: 16066-93-6
Name: 1-(5-amino-1H-indol-1-yl)ethanone
Article Data: 5
Molecular Structure:
Molecular Structure of 16066-93-6 (1-(5-amino-1H-indol-1-yl)ethanone)
Formula: C10H10N2O
Molecular Weight: 174.202
Synonyms: 1H-Indol-5-amine,1-acetyl- (9CI);Indole, 1-acetyl-5-amino- (8CI);N-Acetyl-5-aminoindole;
Density: 1.24 g/cm3
Melting Point: 115-117 °C
Boiling Point: 343.5 °C at 760 mmHg
Flash Point: 161.6 °C
PSA: 48.02000
LogP: 2.46480
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Specification

The Ethanone,1-(5-amino-1H-indol-1-yl)-, with the CAS registry number 16066-93-6, is also known as Indole, 1-acetyl-5-amino- (8CI). This chemical's molecular formula is C10H10N2O and molecular weight is 174.1992. What's more, its IUPAC name and systematic name are the same which is called 1-Acetyl-1H-indol-5-amine.

Physical properties about Ethanone,1-(5-amino-1H-indol-1-yl)-: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.88; (4)ACD/LogD (pH 7.4): 0.9; (5)ACD/BCF (pH 5.5): 2.69; (6)ACD/BCF (pH 7.4): 2.84; (7)ACD/KOC (pH 5.5): 69.48; (8)ACD/KOC (pH 7.4): 73.52; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 48.02 Å2; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 50.06 cm3; (15)Molar Volume: 140.4 cm3; (16)Surface Tension: 48.2dyne/cm; (17)Density: 1.24 g/cm3; (18)Flash Point: 161.6 °C; (19)Enthalpy of Vaporization: 58.74 kJ/mol; (20)Boiling Point: 343.5 °C at 760 mmHg; (21)Vapour Pressure: 7E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(=O)n2ccc1cc(N)ccc12
(2) InChI: InChI=1/C10H10N2O/c1-7(13)12-5-4-8-6-9(11)2-3-10(8)12/h2-6H,11H2,1H3
(3) InChIKey: MNKQEYHXWMJMGA-UHFFFAOYAX