7-methyl-2,7-diazaspiro[3.5]nonane dihydrochloride

• ChemBase ID: 293323
• Molecular Formular: C8H18Cl2N2
• Molecular Mass: 213.14792
• Monoisotopic Mass: 212.08470395
• SMILES: CN1CCC2(CC1)CNC2.Cl.Cl
• Canonical SMILES: CN1CCC2(CC1)CNC2.Cl.Cl
• InChI: InChI=1S/C8H16N2.2ClH/c1-10-4-2-8(3-5-10)6-9-7-8;;/h9H,2-7H2,1H3;2*1H
• InChIKey: IRAPLIBTHNEENQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-2,7-diazaspiro[3.5]nonane dihydrochloride
• IUPAC Traditional name: 7-methyl-2,7-diazaspiro[3.5]nonane dihydrochloride
• Synonyms: 7-Methyl-2,7-diazaspiro[3.5]nonane dihydrochloride

Database IDs

• CAS Number: 1588441-26-2
• PubChem SID: 180678854
• PubChem CID: 71710954

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.801601
• LogD (pH = 7.4): -5.723808
• Log P: -0.08966483
• Molar Refractivity: 42.874 cm^3
• Polarizability: 17.072641 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%