1H-Isoindole-1,3(2H)-dione,2-(4-oxopentyl)- supplier

Name
5-(N-PHTHALIMIDO)-2-PENTANONE
EINECS
CAS No. 3197-25-9
Article Data28
CAS DataBase
Density 1.238 g/cm³
Solubility
Melting Point 74-75 °C
Formula C₁₃H₁₃NO₃
Boiling Point 385.104 °C at 760 mmHg
Molecular Weight 231.251
Flash Point 175.54 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Phthalimide,N-(4-oxopentyl)- (6CI,7CI,8CI);1-N-Phthalimidopentan-4-one;1-Phthalimidopentan-4-one;5-Phthalimido-2-pentanone;N-(4-Oxopentyl)phthalimide;
PSA 54.45000
LogP 1.58970

1H-Isoindole-1,3(2H)-dione,2-(4-oxopentyl)- Specification

The 1H-Isoindole-1,3(2H)-dione,2-(4-oxopentyl)-, with the CAS registry number 3197-25-9, is also known as 2-(4-Oxopentyl)-1H-isoindole-1,3(2H)-dione. This chemical's molecular formula is C₁₃H₁₃NO₃ and molecular weight is 231.25. What's more, its IUPAC name is called 2-(4-Oxopentyl)isoindole-1,3-dione.

Physical properties about 1H-Isoindole-1,3(2H)-dione,2-(4-oxopentyl)- are: (1)ACD/LogP: 1.212; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.21; (4)ACD/LogD (pH 7.4): 1.21; (5)ACD/BCF (pH 5.5): 4.91; (6)ACD/BCF (pH 7.4): 4.91; (7)ACD/KOC (pH 5.5): 108.71; (8)ACD/KOC (pH 7.4): 108.71; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 54.45 Å²; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 60.898 cm³; (15)Molar Volume: 186.794 cm³; (16)Polarizability: 24.142×10^-24cm³; (17)Surface Tension: 49.173 dyne/cm; (18)Density: 1.238 g/cm³; (19)Flash Point: 175.54 °C; (20)Enthalpy of Vaporization: 63.386 kJ/mol; (21)Boiling Point: 385.104 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2c1ccccc1C(=O)N2CCCC(=O)C
(2) InChI: InChI=1S/C13H13NO3/c1-9(15)5-4-8-14-12(16)10-6-2-3-7-11(10)13(14)17/h2-3,6-7H,4-5,8H2,1H3
(3) InChIKey: DPATUMDQWSJANG-UHFFFAOYSA-N

Product Name

5-(N-PHTHALIMIDO)-2-PENTANONE

1H-Isoindole-1,3(2H)-dione,2-(4-oxopentyl)- Specification

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