2-[4-(hexyloxy)phenyl]-5-octylpyrimidine

• ChemBase ID: 295839
• Molecular Formular: C24H36N2O
• Molecular Mass: 368.55544
• Monoisotopic Mass: 368.28276378
• SMILES: CCCCCCCCc1cnc(nc1)c1ccc(cc1)OCCCCCC
• Canonical SMILES: CCCCCCCCc1cnc(nc1)c1ccc(cc1)OCCCCCC
• InChI: InChI=1S/C24H36N2O/c1-3-5-7-9-10-11-13-21-19-25-24(26-20-21)22-14-16-23(17-15-22)27-18-12-8-6-4-2/h14-17,19-20H,3-13,18H2,1-2H3
• InChIKey: ATZLPEPWPJQANQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(hexyloxy)phenyl]-5-octylpyrimidine
• IUPAC Traditional name: 2-[4-(hexyloxy)phenyl]-5-octylpyrimidine
• Synonyms: 2-(4-n-Hexyloxyphenyl)-5-n-octylpyrimidine; 2-[4-正(己氧基)苯基]-5-正辛基嘧啶

Database IDs

• CAS Number: 57202-48-9
• MDL Number: MFCD00691439
• PubChem SID: 180681370
• PubChem CID: 603948

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 7.747112
• LogD (pH = 7.4): 7.7471695
• Log P: 7.74717
• Molar Refractivity: 124.9204 cm^3
• Polarizability: 45.25997 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 57-62°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%