2-benzyl-2,7-diazaspiro[4.4]nonane

• ChemBase ID: 799735
• Molecular Formular: C14H20N2
• Molecular Mass: 216.322
• Monoisotopic Mass: 216.16264865
• SMILES: C1N(CCC21CNCC2)Cc1ccccc1
• Canonical SMILES: c1ccc(cc1)CN1CCC2(C1)CNCC2
• InChI: InChI=1S/C14H20N2/c1-2-4-13(5-3-1)10-16-9-7-14(12-16)6-8-15-11-14/h1-5,15H,6-12H2
• InChIKey: ZLFPWTIKFBLPGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzyl-2,7-diazaspiro[4.4]nonane
• IUPAC Traditional name: 2-benzyl-2,7-diazaspiro[4.4]nonane
• Synonyms: 2-benzyl-2,7-diazaspiro[4.4]nonane

Database IDs

• CAS Number: 885275-27-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.232322
• LogD (pH = 7.4): -2.3624852
• Log P: 1.6348083
• Molar Refractivity: 67.4866 cm^3
• Polarizability: 26.70416 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%