7-methyl-1,7-diazaspiro[3.5]nonane dihydrochloride

• ChemBase ID: 266210
• Molecular Formular: C8H18Cl2N2
• Molecular Mass: 213.14792
• Monoisotopic Mass: 212.08470395
• SMILES: C12(NCC2)CCN(CC1)C.Cl.Cl
• Canonical SMILES: CN1CCC2(CC1)CCN2.Cl.Cl
• InChI: InChI=1S/C8H16N2.2ClH/c1-10-6-3-8(4-7-10)2-5-9-8;;/h9H,2-7H2,1H3;2*1H
• InChIKey: IYRJNDQNTVSIPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-1,7-diazaspiro[3.5]nonane dihydrochloride
• IUPAC Traditional name: 7-methyl-1,7-diazaspiro[3.5]nonane dihydrochloride
• Synonyms: 7-methyl-1,7-diazaspiro[3.5]nonane dihydrochloride

Database IDs

• MDL Number: MFCD15209617
• PubChem SID: 164322120
• PubChem CID: 47002624

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.772324
• LogD (pH = 7.4): -4.99705
• Log P: -0.35386884
• Molar Refractivity: 42.9305 cm^3
• Polarizability: 17.072641 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.165

Product Information

• Purity: 95%