bis((1R,2S)-cyclohexane-1,2-diamine); dichloronickel

• ChemBase ID: 138131
• Molecular Formular: C12H28Cl2N4Ni
• Molecular Mass: 357.97692
• Monoisotopic Mass: 356.10444518
• SMILES: C1CC[C@@H]([C@@H](C1)N)N.C1CC[C@@H]([C@@H](C1)N)N.Cl[Ni]Cl
• Canonical SMILES: N[C@@H]1CCCC[C@@H]1N.N[C@@H]1CCCC[C@@H]1N.Cl[Ni]Cl
• InChI: InChI=1S/2C6H14N2.2ClH.Ni/c2*7-5-3-1-2-4-6(5)8;;;/h2*5-6H,1-4,7-8H2;2*1H;/q;;;;+2/p-2/t2*5-,6+
• InChIKey: KAYIJPKRCVAVAJ-UPLIZVPESA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis((1R,2S)-cyclohexane-1,2-diamine); dichloronickel
• IUPAC Traditional name: bis((1R,2S)-cyclohexane-1,2-diamine); nickel chloride
• Synonyms: Bis(cis-1,2-diaminocyclohexane)nickel(II) chloride; 双(顺式-1,2-二氨基环己烷)氯化镍(II)

Database IDs

• CAS Number: 65533-17-7
• PubChem SID: 162232389
• PubChem CID: 71310109

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.8559394
• LogD (pH = 7.4): -2.7383268
• Log P: -0.007973737
• Molar Refractivity: 33.952 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Toxic (T)
• Risk Statements: 45-42/43
• Safety Statements: 53-22-36/37/39-45

Product Information

• Purity: 99%
• Empirical Formula (Hill Notation): C12H24Cl2N4Ni