Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
7-Methoxy-3,4-dihydroisoquinolin-1(2H)-one |
EINECS | 200-258-5 |
CAS No. | 22246-04-4 | Density | 1.16 g/cm3 |
PSA | 38.33000 | LogP | 1.30990 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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; |
Article Data | 38 |
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