16-ethoxy-3,6,9,12,17-pentaoxanonadecan-1-amine

• ChemBase ID: 101802
• Molecular Formular: C16H35NO6
• Molecular Mass: 337.4522
• Monoisotopic Mass: 337.24643785
• SMILES: C(OCC)(OCC)CCCOCCOCCOCCOCCN
• Canonical SMILES: NCCOCCOCCOCCOCCCC(OCC)OCC
• InChI: InChI=1S/C16H35NO6/c1-3-22-16(23-4-2)6-5-8-18-10-12-20-14-15-21-13-11-19-9-7-17/h16H,3-15,17H2,1-2H3
• InChIKey: AYHQILIYRINGPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 16-ethoxy-3,6,9,12,17-pentaoxanonadecan-1-amine
• IUPAC Traditional name: 16-ethoxy-3,6,9,12,17-pentaoxanonadecan-1-amine
• Synonyms: 16-ethoxy-3,6,9,12,17-pentaoxanonadec-1-ylamine

Database IDs

• CAS Number: 672305-35-0
• MDL Number: MFCD08435921
• PubChem SID: 162087991
• PubChem CID: 18525940

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): -2.502301
• LogD (pH = 7.4): -1.5266128
• Log P: 0.480803
• Molar Refractivity: 90.035 cm^3
• Polarizability: 35.919895 Å^3
• Polar Surface Area: 81.4 Å^2
• Rotatable Bonds: 19
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%