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2382-08-3

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Basic Information
CAS No.: 2382-08-3
Name: 2-methyl-1H-benz[de]isoquinoline-1,3(2H)-dione
Article Data: 32
Molecular Structure:
Molecular Structure of 2382-08-3 (2-methyl-1H-benz[de]isoquinoline-1,3(2H)-dione)
Formula: C13H9NO2
Molecular Weight: 211.22
Synonyms: Naphthalimide,N-methyl- (6CI,7CI,8CI);N-Methyl-1,8-naphthalenedicarboximide;N-Methyl-1,8-naphthalimide;N-Methylnaphthalene-1,8-dicarboxylic acid imide;N-Methylnaphthalimide;2-Methylbenzo[de]isoquinoline-1,3-dione;2-Methyl-1H-benzo[de]isoquinoline-1,3(2H)-dione;2-Methyl-2,3-dihydro-1H-benzo[de]isoquinoline-1,3-dione;
Density: 1.348 g/cm3
Boiling Point: 380.9 °C at 760 mmHg
Flash Point: 181.3 °C
PSA: 39.07000
LogP: 1.48970
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Specification

The 1H-Benz[de]isoquinoline-1,3(2H)-dione,2-methyl-, with the CAS registry number 2382-08-3, is also known as 2-Methyl-2,3-dihydro-1H-benzo[de]isoquinoline-1,3-dione. This chemical's molecular formula is C13H9NO2 and molecular weight is 211.22. What's more, its systematic name is 2-methylbenzo[de]isoquinoline-1,3-dione.

Physical properties of 1H-Benz[de]isoquinoline-1,3(2H)-dione,2-methyl- are: (1)ACD/LogP: 1.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.18; (4)ACD/LogD (pH 7.4): 1.18; (5)ACD/BCF (pH 5.5): 4.68; (6)ACD/BCF (pH 7.4): 4.68; (7)ACD/KOC (pH 5.5): 105.11; (8)ACD/KOC (pH 7.4): 105.11; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 37.38 Å2; (13)Index of Refraction: 1.694; (14)Molar Refractivity: 60.19 cm3; (15)Molar Volume: 156.6 cm3; (16)Polarizability: 23.86×10-24cm3; (17)Surface Tension: 58.8 dyne/cm; (18)Density: 1.348 g/cm3; (19)Flash Point: 181.3 °C; (20)Enthalpy of Vaporization: 62.91 kJ/mol; (21)Boiling Point: 380.9 °C at 760 mmHg; (22)Vapour Pressure: 5.28E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O
(2)InChI: InChI=1S/C13H9NO2/c1-14-12(15)9-6-2-4-8-5-3-7-10(11(8)9)13(14)16/h2-7H,1H3
(3)InChIKey: CZMAEVKITVSOPP-UHFFFAOYSA-N