zinc(2+) ion bis(4-(diethylamino)-2-methylbenzene-1-diazonium) tetrachloride

• ChemBase ID: 108529
• Molecular Formular: C22H32Cl4N6Zn
• Molecular Mass: 587.72168
• Monoisotopic Mass: 584.07339777
• SMILES: [Cl-].[Cl-].[Cl-].[Cl-].[Zn+2].CCN(CC)c1cc(C)c(cc1)[N+]#N.CCN(CC)c1cc(C)c(cc1)[N+]#N
• Canonical SMILES: CCN(c1ccc(c(c1)C)[N+]#N)CC.CCN(c1ccc(c(c1)C)[N+]#N)CC.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]
• InChI: InChI=1S/2C11H16N3.4ClH.Zn/c2*1-4-14(5-2)10-6-7-11(13-12)9(3)8-10;;;;;/h2*6-8H,4-5H2,1-3H3;4*1H;/q2*+1;;;;;+2/p-4
• InChIKey: PXRXIYZGEGFBFM-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: zinc(2+) ion bis(4-(diethylamino)-2-methylbenzene-1-diazonium) tetrachloride
• IUPAC Traditional name: zinc, ion (zn2+) bis(4-(diethylamino)-2-methylbenzenediazonium) tetrachloride
• Synonyms: p-DIAZO-N-DIETHYL-m-PHENETIDINE

Database IDs

• CAS Number: 60869-69-4
• PubChem SID: 162094675
• PubChem CID: 6454079

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1448205
• LogD (pH = 7.4): 3.1448205
• Log P: 3.1448205
• Molar Refractivity: 80.6711 cm^3
• Polarizability: 21.920013 Å^3
• Polar Surface Area: 31.39 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05207704

MP Biomedicals Rare Chemical collection