propyl[6-(propylamino)hexyl]amine

• ChemBase ID: 112506
• Molecular Formular: C12H28N2
• Molecular Mass: 200.36412
• Monoisotopic Mass: 200.22524891
• SMILES: CCCNCCCCCCNCCC
• Canonical SMILES: CCCNCCCCCCNCCC
• InChI: InChI=1S/C12H28N2/c1-3-9-13-11-7-5-6-8-12-14-10-4-2/h13-14H,3-12H2,1-2H3
• InChIKey: HATUUAQLQWALQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propyl[6-(propylamino)hexyl]amine
• IUPAC Traditional name: propyl[6-(propylamino)hexyl]amine
• Synonyms: N,N'-DI-n-PROPYL HEXAMETHYLENE DIAMINE

Database IDs

• CAS Number: 6994-82-7
• PubChem SID: 162097341
• PubChem CID: 285228

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.807721
• LogD (pH = 7.4): -3.3157113
• Log P: 2.6678386
• Molar Refractivity: 64.675 cm^3
• Polarizability: 25.940214 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05224461

MP Biomedicals Rare Chemical collection