(2S)-2,6-diaminohexanamide dihydrochloride

• ChemBase ID: 104265
• Molecular Formular: C6H17Cl2N3O
• Molecular Mass: 218.12468
• Monoisotopic Mass: 217.07486754
• SMILES: Cl.Cl.NCCCC[C@H](N)C(=O)N
• Canonical SMILES: NCCCC[C@@H](C(=O)N)N.Cl.Cl
• InChI: InChI=1S/C6H15N3O.2ClH/c7-4-2-1-3-5(8)6(9)10;;/h5H,1-4,7-8H2,(H2,9,10);2*1H/t5-;;/m0../s1
• InChIKey: AIYVJLPYZQDCKV-XRIGFGBMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2,6-diaminohexanamide dihydrochloride
• IUPAC Traditional name: L-lysinamide dihydrochloride
• Synonyms: L-LYSINAMIDE

Database IDs

• CAS Number: 51127-08-3
• PubChem SID: 162091638
• PubChem CID: 20760365

CALCULATED PROPERTIES

• Acid pKa: 16.62664
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -7.2289443
• LogD (pH = 7.4): -5.201631
• Log P: -1.5175546
• Molar Refractivity: 39.6317 cm^3
• Polarizability: 16.04557 Å^3
• Polar Surface Area: 95.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 0°C

DETAILS

MP Biomedicals - 02155287

Dihydrochloride