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2H-Indol-2-one,5-amino-1,3-dihydro-1-methyl-

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Name

2H-Indol-2-one,5-amino-1,3-dihydro-1-methyl-

EINECS N/A
CAS No. 20870-91-1 Density 1.263 g/cm3
PSA 46.33000 LogP 1.43390
Solubility N/A Melting Point 109 °C
Formula C9H10N2O Boiling Point 471.9 °C at 760 mmHg
Molecular Weight 162.191 Flash Point 239.2 °C
Transport Information N/A Appearance N/A
Safety 22-26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 20870-91-1 (5-Amino-1-methyl-2-oxoindoline) Hazard Symbols N/A
Synonyms

2-Indolinone,5-amino-1-methyl- (8CI);5-Amino-1-methyl-1,3-dihydroindol-2-one;5-Amino-1-methylindolin-2-one;

 

2H-Indol-2-one,5-amino-1,3-dihydro-1-methyl- Specification

The 2H-Indol-2-one,5-amino-1,3-dihydro-1-methyl-, with the CAS registry number 20870-91-1, is also known as Aminomethyloxoindoline. This chemical's molecular formula is C9H10N2O and molecular weight is 162.1885. What's more, its systematic name is called 5-Amino-1-methyl-1,3-dihydro-2H-indol-2-one.

Physical properties about 2H-Indol-2-one,5-amino-1,3-dihydro-1-methyl- are: (1) # of Rule of 5 Violations: 0 ; (2) ACD/BCF (pH 5.5): 1; (3) ACD/BCF (pH 7.4): 1; (4) ACD/KOC (pH 5.5): 23; (5) ACD/KOC (pH 7.4): 23.34; (6) #H bond acceptors: 3; (7) #H bond donors: 2; (8) #Freely Rotating Bonds: 1; (9) Polar Surface Area: 46.33 Å2; (10) Index of Refraction: 1.643; (11) Molar Refractivity: 46.45 cm3; (12) Molar Volume: 128.3 cm3; (13) Surface Tension: 56.5 dyne/cm; (14) Density: 1.263 g/cm3; (15) Flash Point: 239.2 °C; (16) Enthalpy of Vaporization: 73.48 kJ/mol; (17) Boiling Point: 471.9 °C at 760 mmHg; (18) Vapour Pressure: 4.47E-09 mmHg at 25 °C; (19) Melting Point: 109 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Nc1cc2CC(=O)N(C)c2cc1
(2) InChI: InChI=1/C9H10N2O/c1-11-8-3-2-7(10)4-6(8)5-9(11)12/h2-4H,5,10H2,1H3
(3) InChIKey: ZGLUKQQSWABKDH-UHFFFAOYAM

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