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CAS No.: | 20870-91-1 |
---|---|
Name: | 5-Amino-1-methyl-2-oxoindoline |
Molecular Structure: | |
Formula: | C9H10N2O |
Molecular Weight: | 162.191 |
Synonyms: | 2-Indolinone,5-amino-1-methyl- (8CI);5-Amino-1-methyl-1,3-dihydroindol-2-one;5-Amino-1-methylindolin-2-one; |
Density: | 1.263 g/cm3 |
Melting Point: | 109 °C |
Boiling Point: | 471.9 °C at 760 mmHg |
Flash Point: | 239.2 °C |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 22-26-36/37/39 |
PSA: | 46.33000 |
LogP: | 1.43390 |
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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