3-(dodecyloxy)propan-1-amine

• ChemBase ID: 82861
• Molecular Formular: C15H33NO
• Molecular Mass: 243.42862
• Monoisotopic Mass: 243.25621468
• SMILES: NCCCOCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCOCCCN
• InChI: InChI=1S/C15H33NO/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16/h2-16H2,1H3
• InChIKey: ZRJOUVOXPWNFOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(dodecyloxy)propan-1-amine
• IUPAC Traditional name: 3-(dodecyloxy)propan-1-amine
• Synonyms: 3-(dodecyloxy)propylamine; 3-(dodecyloxy)propan-1-amine

Database IDs

• MDL Number: MFCD00025621
• PubChem SID: 162069980
• PubChem CID: 65596

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2455137
• LogD (pH = 7.4): 1.7075778
• Log P: 4.267974
• Molar Refractivity: 76.5093 cm^3
• Polarizability: 30.61029 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 5.474

Product Information

• Purity: 95%