1,4-diazaspiro[5.5]undecane dihydrochloride

• ChemBase ID: 810268
• Molecular Formular: C9H20Cl2N2
• Molecular Mass: 227.1745
• Monoisotopic Mass: 226.10035401
• SMILES: Cl.Cl.N1CCNCC21CCCCC2
• Canonical SMILES: C1CCC2(CC1)CNCCN2.Cl.Cl
• InChI: InChI=1S/C9H18N2.2ClH/c1-2-4-9(5-3-1)8-10-6-7-11-9;;/h10-11H,1-8H2;2*1H
• InChIKey: IJZCIJLGIPCFTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-diazaspiro[5.5]undecane dihydrochloride
• IUPAC Traditional name: 1,4-diazaspiro[5.5]undecane dihydrochloride
• Synonyms: 1,4-DIAZA-SPIRO[5.5]UNDECANE DIHYDROCHLORIDE

Database IDs

• CAS Number: 1159822-91-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.5498898
• LogD (pH = 7.4): -1.4138556
• Log P: 0.9942324
• Molar Refractivity: 46.3526 cm^3
• Polarizability: 18.918522 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%