(1R,2S)-cyclohexane-1,2-diamine dihydrochloride

• ChemBase ID: 289795
• Molecular Formular: C6H16Cl2N2
• Molecular Mass: 187.11064
• Monoisotopic Mass: 186.06905388
• SMILES: N[C@H]1[C@@H](N)CCCC1.Cl.Cl
• Canonical SMILES: N[C@@H]1CCCC[C@@H]1N.Cl.Cl
• InChI: InChI=1S/C6H14N2.2ClH/c7-5-3-1-2-4-6(5)8;;/h5-6H,1-4,7-8H2;2*1H/t5-,6+
• InChIKey: HEKOZXSZLOBKGM-RUTFAPCESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2S)-cyclohexane-1,2-diamine dihydrochloride
• IUPAC Traditional name: (1R,2S)-cyclohexane-1,2-diamine dihydrochloride
• Synonyms: (1R,2S)-Cyclohexane-1,2-diamine dihydrochloride

Database IDs

• CAS Number: 10027-80-2
• MDL Number: MFCD19440709
• PubChem SID: 180675326
• PubChem CID: 70701196

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

Product Information

• Purity: 95+%