1(2H)-Isoquinolinone,2-methyl- supplier

Name
2-Methyl-1(2H)-isoquinolone
EINECS
CAS No. 4594-71-2
Article Data53
CAS DataBase
Density 1.16 g/cm³
Solubility
Melting Point 105-106 °C
Formula C₁₀H₉NO
Boiling Point 307.6 °C at 760 mmHg
Molecular Weight 159.188
Flash Point 145.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Isocarbostyril,2-methyl- (6CI,7CI,8CI);2-Methyl-1(2H)-isoquinolinone;2-Methyl-1(2H)-isoquinolone;2-Methyl-1-isoquinolinone;2-Methyl-1-isoquinolone;N-Methylisocarbostyril;
PSA 22.00000
LogP 1.53850

1(2H)-Isoquinolinone,2-methyl- Specification

The 1(2H)-Isoquinolinone, 2-methyl-, with the CAS registry number of 4594-71-2, is also known as N-Methylisocarbostyril. This chemical's molecular formula is C₁₀H₉NO and molecular weight is 159.1846. What's more, its IUPAC name is 2-Methylisoquinolin-1-one.

Physical properties about 1(2H)-Isoquinolinone, 2-methyl- are: (1)ACD/LogP: 1.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.55; (4)ACD/LogD (pH 7.4): 1.55; (5)ACD/BCF (pH 5.5): 8.84; (6)ACD/BCF (pH 7.4): 8.84; (7)ACD/KOC (pH 5.5): 165.65; (8)ACD/KOC (pH 7.4): 165.65; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 46.43 cm³; (15)Molar Volume: 137.1 cm³; (16)Surface Tension: 43.2 dyne/cm; (17)Density: 1.16 g/cm³; (18)Flash Point: 145.2 °C; (19)Enthalpy of Vaporization: 54.82 kJ/mol; (20)Boiling Point: 307.6 °C at 760 mmHg; (21)Vapour Pressure: 0.000719 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1c2ccccc2\C=C/N1C
(2) InChI: InChI=1/C10H9NO/c1-11-7-6-8-4-2-3-5-9(8)10(11)12/h2-7H,1H3
(3) InChIKey: YJRMHIKEMDTYDR-UHFFFAOYAK

Product Name

2-Methyl-1(2H)-isoquinolone

1(2H)-Isoquinolinone,2-methyl- Specification

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