(2S)-2,6-diaminohexanoic acid

• ChemBase ID: 136278
• Molecular Formular: C6H14N2O2
• Molecular Mass: 147.1809689
• Monoisotopic Mass: 147.10256259
• SMILES: C(CCN)C[C@@H](C(=O)O)[15NH2]
• Canonical SMILES: NCCCC[C@@H](C(=O)O)[15NH2]
• InChI: InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1/i8+1
• InChIKey: KDXKERNSBIXSRK-DCNWSHSXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2,6-diaminohexanoic acid
• IUPAC Traditional name: L-lysine
• Synonyms: L-Lysine-2-15N dihydrochloride; L-赖氨酸-2-15N 二盐酸盐

Database IDs

• CAS Number: 204451-50-3
• PubChem SID: 162230549
• PubChem CID: 16217576

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: 200-206 °C (dec.)(lit.)
• Optical Rotation: [α]20/D +17°, c = 2 in 6 M HCl
• Mass Shift: M+1

Safety Information

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

Product Information

• Purity: 98% (CP)
• Isotopic Purity: 98 atom % 15N
• Mol. Weight: mol wt 221.10 by atom % calculation
• Linear Formula: H2N(CH2)4CH(15NH2)CO2H · 2HCl

DETAILS

Sigma Aldrich - 592900

Packaging
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.