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

• ChemBase ID: 70103
• Molecular Formular: C8H20Cl2N2
• Molecular Mass: 215.1638
• Monoisotopic Mass: 214.10035401
• SMILES: [C@@H]1([C@@H](CCCC1)NC)NC.Cl.Cl
• Canonical SMILES: CN[C@@H]1CCCC[C@H]1NC.Cl.Cl
• InChI: InChI=1S/C8H18N2.2ClH/c1-9-7-5-3-4-6-8(7)10-2;;/h7-10H,3-6H2,1-2H3;2*1H/t7-,8-;;/m1../s1
• InChIKey: UDYXZFBJGBDHHP-RHJRFJOKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine dihydrochloride
• IUPAC Traditional name: (1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine dihydrochloride
• Synonyms: trans-(1R,2R)-N,N'-Bismethyl-1,2-cyclohexane diamine dihydrochloride

Database IDs

• CAS Number: 70708-33-7
• PubChem SID: 162035828
• PubChem CID: 44890801

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.1429214
• LogD (pH = 7.4): -2.0264766
• Log P: 0.85718703
• Molar Refractivity: 43.5012 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%