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

• ChemBase ID: 139379
• Molecular Formular: C6H15ClN2O2
• Molecular Mass: 184.6353178
• Monoisotopic Mass: 184.0762752
• SMILES: C(CC[15NH2])C[C@@H](C(=O)O)[15NH2].Cl
• Canonical SMILES: [15NH2]CCCC[C@@H](C(=O)O)[15NH2].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-;/m0./s1/i7+1,8+1
• InChIKey: BVHLGVCQOALMSV-XVXIHWTMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2,6-diaminohexanoic acid hydrochloride
• IUPAC Traditional name: L-lysine hydrochloride
• Synonyms: L-Lysine-15N2 hydrochloride

Database IDs

• MDL Number: MFCD04118235
• PubChem SID: 162233627; 24882008
• PubChem CID: 16217577

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

Physical Property

• Melting Point: 263-264 °C (dec.)(lit.)
• Optical Rotation: [α]20/D +21°, c = 8 in 5 M HCl
• Mass Shift: M+2

Safety Information

• German water hazard class: 3

Product Information

• Purity: 98% (CP)
• Isotopic Purity: 98 atom % 15N
• Mol. Weight: mol wt 184.61 by atom % calculation
• Linear Formula: H215N(CH2)4CH(15NH2)CO2H · HCl

DETAILS

Sigma Aldrich - 609021

Packaging
100 mg in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.