benzyl(nonadecan-2-yl)amine

• ChemBase ID: 109256
• Molecular Formular: C26H47N
• Molecular Mass: 373.65808
• Monoisotopic Mass: 373.37085051
• SMILES: CCCCCCCCCCCCCCCCCC(C)NCc1ccccc1
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(NCc1ccccc1)C
• InChI: InChI=1S/C26H47N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-25(2)27-24-26-22-19-17-20-23-26/h17,19-20,22-23,25,27H,3-16,18,21,24H2,1-2H3
• InChIKey: MZYUTZRGBTYVDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(nonadecan-2-yl)amine
• IUPAC Traditional name: benzyl(nonadecan-2-yl)amine
• Synonyms: N-BENZYL-1-METHYLOCTADECYLAMINE

Database IDs

• PubChem SID: 162106280
• PubChem CID: 44135396

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 6.2764006
• LogD (pH = 7.4): 6.969427
• Log P: 9.49603
• Molar Refractivity: 122.0124 cm^3
• Polarizability: 48.84263 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 19
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05210355

MP Biomedicals Rare Chemical collection