(2R)-2,6-diaminohexanoic acid hydrochloride

• ChemBase ID: 796906
• Molecular Formular: C6H15ClN2O2
• Molecular Mass: 182.6485
• Monoisotopic Mass: 182.08220541
• SMILES: Cl.NCCCC[C@@H](N)C(=O)O
• Canonical SMILES: NCCCC[C@H](C(=O)O)N.Cl
• InChI: InChI=1S/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m1./s1
• InChIKey: BVHLGVCQOALMSV-NUBCRITNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2,6-diaminohexanoic acid hydrochloride
• IUPAC Traditional name: D-lysine hydrochloride
• Synonyms: D-Lysine hydrochloride

Database IDs

• CAS Number: 7274-88-6

CALCULATED PROPERTIES

• Acid pKa: 2.7382863
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -5.9555907
• LogD (pH = 7.4): -4.978252
• Log P: -3.2145348
• Molar Refractivity: 37.8095 cm^3
• Polarizability: 15.365045 Å^3
• Polar Surface Area: 89.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%