2-(2-{2-[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazen-1-yl}propan-2-yl)-4,5-dihydro-1H-imidazole dihydrochloride

• ChemBase ID: 795818
• Molecular Formular: C12H24Cl2N6
• Molecular Mass: 323.26516
• Monoisotopic Mass: 322.14395016
• SMILES: Cl.Cl.N(=NC(C)(C)C1=NCCN1)C(C)(C)C1=NCCN1
• Canonical SMILES: CC(C1=NCCN1)(N=NC(C1=NCCN1)(C)C)C.Cl.Cl
• InChI: InChI=1S/C12H22N6.2ClH/c1-11(2,9-13-5-6-14-9)17-18-12(3,4)10-15-7-8-16-10;;/h5-8H2,1-4H3,(H,13,14)(H,15,16);2*1H
• InChIKey: LBSPZZSGTIBOFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-{2-[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazen-1-yl}propan-2-yl)-4,5-dihydro-1H-imidazole dihydrochloride
• IUPAC Traditional name: 2-(2-{2-[2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-yl]diazen-1-yl}propan-2-yl)-4,5-dihydro-1H-imidazole dihydrochloride
• Synonyms: 1,2-Bis(2-(4,5-dihydro-1H-iMidazol-2-yl)propan-2-yl)diazene dihydrochloride

Database IDs

• CAS Number: 27776-21-2

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -3.6308522
• LogD (pH = 7.4): -0.58351004
• Log P: 0.33976248
• Molar Refractivity: 70.7844 cm^3
• Polarizability: 26.810495 Å^3
• Polar Surface Area: 73.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%