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310451-86-6

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Basic Information
CAS No.: 310451-86-6
Name: 2-(1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YLMETHYL)-ISOINDOLE-1,3-DIONE
Article Data: 15
Molecular Structure:
Molecular Structure of 310451-86-6 (2-(1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YLMETHYL)-ISOINDOLE-1,3-DIONE)
Formula: C18H16N2O2
Molecular Weight: 292.337
Synonyms: 1-Phthalimidomethyl-1,2,3,4-tetrahydroisoquinoline;
Boiling Point: 472.4 °C at 760 mmHg
Flash Point: 239.5 °C
Hazard Symbols: IrritantXi
Risk Codes: 22
PSA: 49.41000
LogP: 2.43630
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Specification

The 1H-Isoindole-1,3(2H)-dione,2-[(1,2,3,4-tetrahydro-1-isoquinolinyl)methyl]-, with the CAS registry number 310451-86-6, is also known as 1-Phthalimidomethyl-1,2,3,4-tetrahydroisoquinoline. This chemical's molecular formula is C18H16N2O2 and molecular weight is 292.33. Its systematic name is called 2-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-1H-isoindole-1,3(2H)-dione. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of 1H-Isoindole-1,3(2H)-dione,2-[(1,2,3,4-tetrahydro-1-isoquinolinyl)methyl]-: (1)ACD/LogP: 2.79; (2)#H bond acceptors: 4; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 2; (5)Index of Refraction: 1.637; (6)Molar Refractivity: 82.1 cm3; (7)Molar Volume: 228.5 cm3; (8)Surface Tension: 53.5 dyne/cm; (9)Density: 1.279 g/cm3; (10)Flash Point: 239.5 °C; (11)Enthalpy of Vaporization: 73.54 kJ/mol; (12)Boiling Point: 472.4 °C at 760 mmHg; (13)Vapour Pressure: 4.28E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1ccccc1C(=O)N2CC4c3c(cccc3)CCN4
(2)InChI: InChI=1/C18H16N2O2/c21-17-14-7-3-4-8-15(14)18(22)20(17)11-16-13-6-2-1-5-12(13)9-10-19-16/h1-8,16,19H,9-11H2
(3)InChIKey: OOOHRYLFPGOMKQ-UHFFFAOYAY