1-N,1-N-dimethylcyclohexane-1,4-diamine dihydrochloride

• ChemBase ID: 293405
• Molecular Formular: C8H20Cl2N2
• Molecular Mass: 215.1638
• Monoisotopic Mass: 214.10035401
• SMILES: NC1CCC(N(C)C)CC1.Cl.Cl
• Canonical SMILES: NC1CCC(CC1)N(C)C.Cl.Cl
• InChI: InChI=1S/C8H18N2.2ClH/c1-10(2)8-5-3-7(9)4-6-8;;/h7-8H,3-6,9H2,1-2H3;2*1H
• InChIKey: HRZUCSCEEZQGMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N,1-N-dimethylcyclohexane-1,4-diamine dihydrochloride
• IUPAC Traditional name: 1-N,1-N-dimethylcyclohexane-1,4-diamine dihydrochloride
• Synonyms: N1,N1-Dimethylcyclohexane-1,4-diamine dihydrochloride

Database IDs

• CAS Number: 1031289-75-4
• MDL Number: MFCD08752578
• PubChem SID: 180678936
• PubChem CID: 53399023

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.006662
• LogD (pH = 7.4): -4.9663877
• Log P: 0.4958397
• Molar Refractivity: 44.3293 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+%