(1R,2R)-1-N,1-N-dimethylcyclohexane-1,2-diamine dihydrochloride

• ChemBase ID: 288590
• Molecular Formular: C8H20Cl2N2
• Molecular Mass: 215.1638
• Monoisotopic Mass: 214.10035401
• SMILES: N[C@H]1[C@H](N(C)C)CCCC1.Cl.Cl
• Canonical SMILES: CN([C@@H]1CCCC[C@H]1N)C.Cl.Cl
• InChI: InChI=1S/C8H18N2.2ClH/c1-10(2)8-6-4-3-5-7(8)9;;/h7-8H,3-6,9H2,1-2H3;2*1H/t7-,8-;;/m1../s1
• InChIKey: BZJVMZDYSWJIIG-RHJRFJOKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2R)-1-N,1-N-dimethylcyclohexane-1,2-diamine dihydrochloride
• IUPAC Traditional name: (1R,2R)-1-N,1-N-dimethylcyclohexane-1,2-diamine dihydrochloride
• Synonyms: (1R,2R)-N1,N1-Dimethylcyclohexane-1,2-diamine dihydrochloride

Database IDs

• PubChem SID: 180674121
• PubChem CID: 53484858

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.326094
• LogD (pH = 7.4): -2.0615594
• Log P: 0.8076546
• Molar Refractivity: 44.0213 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%