8-benzyl-2,8-diazaspiro[4.5]decane

• ChemBase ID: 41432
• Molecular Formular: C15H22N2
• Molecular Mass: 230.34858
• Monoisotopic Mass: 230.17829871
• SMILES: N1(Cc2ccccc2)CCC2(CC1)CNCC2
• Canonical SMILES: c1ccc(cc1)CN1CCC2(CC1)CNCC2
• InChI: InChI=1S/C15H22N2/c1-2-4-14(5-3-1)12-17-10-7-15(8-11-17)6-9-16-13-15/h1-5,16H,6-13H2
• InChIKey: MDBVTGGHEWEATH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-benzyl-2,8-diazaspiro[4.5]decane
• IUPAC Traditional name: 8-benzyl-2,8-diazaspiro[4.5]decane
• Synonyms: 8-Benzyl-2,8-diazaspiro[4.5]decane

Database IDs

• CAS Number: 336191-15-2
• MDL Number: MFCD09910205
• PubChem SID: 162046195
• PubChem CID: 44607712

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.4582458
• LogD (pH = 7.4): -2.7303374
• Log P: 1.9234695
• Molar Refractivity: 72.2416 cm^3
• Polarizability: 28.551031 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%; 97%