2-(10-bromodecyl)-2,3-dihydro-1H-isoindole-1,3-dione

• ChemBase ID: 52026
• Molecular Formular: C18H24BrNO2
• Molecular Mass: 366.29266
• Monoisotopic Mass: 365.09904101
• SMILES: C1(=O)c2c(C(=O)N1CCCCCCCCCCBr)cccc2
• Canonical SMILES: BrCCCCCCCCCCN1C(=O)c2c(C1=O)cccc2
• InChI: InChI=1S/C18H24BrNO2/c19-13-9-5-3-1-2-4-6-10-14-20-17(21)15-11-7-8-12-16(15)18(20)22/h7-8,11-12H,1-6,9-10,13-14H2
• InChIKey: LJFIOTMXPRSHSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(10-bromodecyl)-2,3-dihydro-1H-isoindole-1,3-dione
• IUPAC Traditional name: 2-(10-bromodecyl)isoindole-1,3-dione
• Synonyms: N-(10-Bromodecyl)phthalimide; 2-(10-Bromodec-1-yl)-1H-isoindole-1,3(2H)-dione; 2-(10-Bromodec-1-yl)isoindolin-1,3-dione; N-(10-Bromodec-1-yl)phthalimide

Database IDs

• CAS Number: 24566-80-1
• MDL Number: MFCD00060521
• PubChem SID: 162056789
• PubChem CID: 594856

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.0118184
• LogD (pH = 7.4): 5.0118184
• Log P: 5.0118184
• Molar Refractivity: 93.6543 cm^3
• Polarizability: 35.196064 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 58-60°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 98%