5-methyl-3,4-dihydroisoquinolin-1(2h)-one supplier

Name
1(2H)-Isoquinolinone, 3,4-dihydro-5-methyl-
EINECS
CAS No. 129075-56-5
Article Data3
CAS DataBase
Density 1.111 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₁NO
Boiling Point 413.769 °C at 760 mmHg
Molecular Weight 161.203
Flash Point 243.511 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,4-dihydro-5-methyl-1(2H)-isoquinolinone;3,4-Dihydro-5-methoxyisoquinolin-1(2H)one;
PSA 32.59000
LogP 1.29130

5-methyl-3,4-dihydroisoquinolin-1(2h)-one Specification

The CAS register number of 1(2H)-Isoquinolinone,3,4-dihydro-5-methyl- is 129075-56-5. It also can be called as 3,4-dihydro-5-methyl-1(2H)-isoquinolinone and the IUPAC name about this chemical is 5-methyl-3,4-dihydro-2H-isoquinolin-1-one. The molecular formula about this chemical is C₁₀H₁₁NO and the molecular weight is 161.08.

Physical properties about 1(2H)-Isoquinolinone,3,4-dihydro-5-methyl- are: (1)ACD/LogP: 1.21; (2)ACD/LogD (pH 5.5): 1.209; (3)ACD/LogD (pH 7.4): 1.209; (4)ACD/BCF (pH 5.5): 4.885; (5)ACD/BCF (pH 7.4): 4.885; (6)ACD/KOC (pH 5.5): 108.322; (7)ACD/KOC (pH 7.4): 108.322; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 29.1 Å²; (11)Index of Refraction: 1.557; (12)Molar Refractivity: 46.731 cm³; (13)Molar Volume: 145.068 cm³; (14)Polarizability: 18.525x10^-24cm³; (15)Surface Tension: 39.735 dyne/cm; (16)Density: 1.111 g/cm³; (17)Flash Point: 243.511 °C; (18)Enthalpy of Vaporization: 66.66 kJ/mol; (19)Boiling Point: 413.769 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cccc2c1CCNC2=O
(2)InChI: InChI=1/C10H11NO/c1-7-3-2-4-9-8(7)5-6-11-10(9)12/h2-4H,5-6H2,1H3,(H,11,12)
(3)InChIKey: RLLZPXDJYADIEU-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C10H11NO/c1-7-3-2-4-9-8(7)5-6-11-10(9)12/h2-4H,5-6H2,1H3,(H,11,12)
(5)Std. InChIKey: RLLZPXDJYADIEU-UHFFFAOYSA-N

Product Name

1(2H)-Isoquinolinone, 3,4-dihydro-5-methyl-

5-methyl-3,4-dihydroisoquinolin-1(2h)-one Specification

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