7-Methoxy-3,4-dihydroisoquinolin-1(2H)-one supplier

Name
7-METHOXY-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE
EINECS 200-258-5
CAS No. 22246-04-4
Article Data38
CAS DataBase
Density 1.16 g/cm³
Solubility
Melting Point 112-114 °C(Solv: chloroform (67-66-3); ethyl ether (60-29-7))
Formula C₁₀H₁₁NO₂
Boiling Point 435.789 °C at 760 mmHg
Molecular Weight 177.203
Flash Point 217.358 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Isocarbostyril,3,4-dihydro-7-methoxy- (6CI,8CI);7-Methoxy-3,4-dihydro-2H-isoquinolin-1-one;7-Methoxy-3,4-dihydroisoquinolin-1(2H)-one;
PSA 38.33000
LogP 1.30990

7-Methoxy-3,4-dihydroisoquinolin-1(2H)-one Specification

The CAS register number of 1(2H)-Isoquinolinone,3,4-dihydro-7-methoxy- is 22246-04-4. It also can be called as 7-Methoxy-3,4-dihydro-2H-isoquinolin-1-one and the systematic name about this chemical is 7-methoxy-3,4-dihydroisoquinolin-1(2H)-one. The molecular formula about this chemical is C₁₀H₁₁NO₂ and the molecular weight is 177.2.

Physical properties about 1(2H)-Isoquinolinone,3,4-dihydro-7-methoxy- are: (1)ACD/LogP: 1.05; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 41; (5)ACD/KOC (pH 7.4): 41; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 38.33 Å²; (10)Index of Refraction: 1.549; (11)Molar Refractivity: 48.584 cm³; (12)Molar Volume: 152.796 cm³; (13)Polarizability: 19.26x10^-24cm³; (14)Surface Tension: 40.127 dyne/cm; (15)Density: 1.16 g/cm³; (16)Flash Point: 217.358 °C; (17)Enthalpy of Vaporization: 69.213 kJ/mol; (18)Boiling Point: 435.789 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc2CCNC(=O)c2c1
(2)InChI: InChI=1/C10H11NO2/c1-13-8-3-2-7-4-5-11-10(12)9(7)6-8/h2-3,6H,4-5H2,1H3,(H,11,12)
(3)InChIKey: QBEYUVIGABSXEU-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C10H11NO2/c1-13-8-3-2-7-4-5-11-10(12)9(7)6-8/h2-3,6H,4-5H2,1H3,(H,11,12)
(5)Std. InChIKey: QBEYUVIGABSXEU-UHFFFAOYSA-N

Product Name

7-METHOXY-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE

7-Methoxy-3,4-dihydroisoquinolin-1(2H)-one Specification

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