(3-aminopropyl)(hexadecyl)amine

• ChemBase ID: 24368
• Molecular Formular: C19H42N2
• Molecular Mass: 298.55018
• Monoisotopic Mass: 298.33479935
• SMILES: N(CCCN)CCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCNCCCN
• InChI: InChI=1S/C19H42N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20/h21H,2-20H2,1H3
• InChIKey: UKNVXIMLHBKVAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-aminopropyl)(hexadecyl)amine
• IUPAC Traditional name: (3-aminopropyl)(hexadecyl)amine
• Synonyms: N1-Hexadecyl-1,3-propanediamine

Database IDs

• MDL Number: MFCD10687292
• PubChem SID: 160987675
• PubChem CID: 81604

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.16271941
• LogD (pH = 7.4): 1.674048
• Log P: 5.7288203
• Molar Refractivity: 96.5942 cm^3
• Polarizability: 38.869053 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 18
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false