zinc(2+) ion 4,4,10,10-tetramethyl-1,3,7,9-tetraazaspiro[5.5]undecane-2,8-dione dichloride

• ChemBase ID: 120492
• Molecular Formular: C11H20Cl2N4O2Zn
• Molecular Mass: 376.5881
• Monoisotopic Mass: 374.02547326
• SMILES: C12(NC(=O)NC(C1)(C)C)NC(=O)NC(C2)(C)C.[Cl-].[Cl-].[Zn+2]
• Canonical SMILES: O=C1NC2(NC(=O)NC(C2)(C)C)CC(N1)(C)C.[Cl-].[Cl-].[Zn+2]
• InChI: InChI=1S/C11H20N4O2.2ClH.Zn/c1-9(2)5-11(14-7(16)12-9)6-10(3,4)13-8(17)15-11;;;/h5-6H2,1-4H3,(H2,12,14,16)(H2,13,15,17);2*1H;/q;;;+2/p-2
• InChIKey: YNXNNBAAEGSYKP-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: zinc(2+) ion 4,4,10,10-tetramethyl-1,3,7,9-tetraazaspiro[5.5]undecane-2,8-dione dichloride
• IUPAC Traditional name: zinc(2+) ion 4,4,10,10-tetramethyl-1,3,7,9-tetraazaspiro[5.5]undecane-2,8-dione dichloride
• Synonyms: zinc(2+) ion 4,4,10,10-tetramethyl-1,3,7,9-tetraazaspiro[5.5]undecane-2,8-dione dichloride

Database IDs

• PubChem SID: 162214845
• PubChem CID: 56763470

CALCULATED PROPERTIES

• Acid pKa: 12.99239
• H Acceptors: 2
• H Donor: 4
• LogD (pH = 5.5): 0.14755633
• LogD (pH = 7.4): 0.1475556
• Log P: 0.14755638
• Molar Refractivity: 61.8278 cm^3
• Polarizability: 24.285318 Å^3
• Polar Surface Area: 82.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: ZnCl2