(2S)-2,6-diamino-N-hydroxyhexanamide hydrochloride

• ChemBase ID: 131726
• Molecular Formular: C6H16ClN3O2
• Molecular Mass: 197.66314
• Monoisotopic Mass: 197.09310445
• SMILES: C(CCN)C[C@@H](C(=O)NO)N.Cl
• Canonical SMILES: N[C@H](C(=O)NO)CCCCN.Cl
• InChI: InChI=1S/C6H15N3O2.ClH/c7-4-2-1-3-5(8)6(10)9-11;/h5,11H,1-4,7-8H2,(H,9,10);1H/t5-;/m0./s1
• InChIKey: IQSDDPREKUXCCR-JEDNCBNOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2,6-diamino-N-hydroxyhexanamide hydrochloride
• IUPAC Traditional name: (2S)-2,6-diamino-N-hydroxyhexanamide hydrochloride
• Synonyms: L-Lysine hydroxamate hydrochloride

Database IDs

• CAS Number: 52760-35-7
• MDL Number: MFCD00058275
• PubChem SID: 162226003; 24896511
• PubChem CID: 16219597

CALCULATED PROPERTIES

• Acid pKa: 8.886959
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -6.9570756
• LogD (pH = 7.4): -4.460411
• Log P: -2.6313689
• Molar Refractivity: 41.3963 cm^3
• Polarizability: 16.693586 Å^3
• Polar Surface Area: 101.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter