3,6,9,12,15-pentaoxaheptadecane-1,17-diamine

• ChemBase ID: 176319
• Molecular Formular: C12H28N2O5
• Molecular Mass: 280.36112
• Monoisotopic Mass: 280.19982201
• SMILES: NCCOCCOCCOCCOCCOCCN
• Canonical SMILES: NCCOCCOCCOCCOCCOCCN
• InChI: InChI=1S/C12H28N2O5/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h1-14H2
• InChIKey: FOOPZYBJIJNBLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6,9,12,15-pentaoxaheptadecane-1,17-diamine
• IUPAC Traditional name: 3,6,9,12,15-pentaoxaheptadecane-1,17-diamine
• Synonyms: 3,6,9,12,15-Pentaoxaheptadecane-1,17-diamine; 1,17-Diamino-3,6,9,12,15-pentaoxaheptadecane; 3,6,9,12,15-Pentaoxaheptadecane-1,17-diyl Bis-amine

Database IDs

• CAS Number: 72236-26-1
• PubChem SID: 164232229
• PubChem CID: 15610191

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 2
• LogD (pH = 5.5): -7.623528
• LogD (pH = 7.4): -5.6721516
• Log P: -1.6573203
• Molar Refractivity: 73.0861 cm^3
• Polarizability: 29.393496 Å^3
• Polar Surface Area: 98.19 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Yellow Oil

Safety Information

• Storage Condition: Refrigerator, Under Inert Atmosphere
• Storage Warning: Moisture Sensitive

DETAILS

Toronto Research Chemicals - P273710

A cross-linking reagent.