benzyl(nonadecan-10-yl)amine

• ChemBase ID: 107645
• Molecular Formular: C26H47N
• Molecular Mass: 373.65808
• Monoisotopic Mass: 373.37085051
• SMILES: CCCCCCCCCC(CCCCCCCCC)NCc1ccccc1
• Canonical SMILES: CCCCCCCCCC(NCc1ccccc1)CCCCCCCCC
• InChI: InChI=1S/C26H47N/c1-3-5-7-9-11-13-18-22-26(23-19-14-12-10-8-6-4-2)27-24-25-20-16-15-17-21-25/h15-17,20-21,26-27H,3-14,18-19,22-24H2,1-2H3
• InChIKey: AHOQLXWVDPILNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(nonadecan-10-yl)amine
• IUPAC Traditional name: benzyl(nonadecan-10-yl)amine
• Synonyms: N-BENZYL-1-NONYLDECYLAMINE

Database IDs

• CAS Number: 845715-09-5
• PubChem SID: 162093672
• PubChem CID: 232908

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 6.3469644
• LogD (pH = 7.4): 6.9103055
• Log P: 9.573984
• Molar Refractivity: 121.9354 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 - 05204446

MP Biomedicals Rare Chemical collection