2,6-diaminohexanoic acid dihydrochloride

• ChemBase ID: 102571
• Molecular Formular: C6H16Cl2N2O2
• Molecular Mass: 219.10944
• Monoisotopic Mass: 218.05888312
• SMILES: Cl.Cl.NCCCCC(N)C(=O)O
• Canonical SMILES: NCCCCC(C(=O)O)N.Cl.Cl
• InChI: InChI=1S/C6H14N2O2.2ClH/c7-4-2-1-3-5(8)6(9)10;;/h5H,1-4,7-8H2,(H,9,10);2*1H
• InChIKey: JBBURJFZIMRPCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-diaminohexanoic acid dihydrochloride
• IUPAC Traditional name: lysine dihydrochloride
• Synonyms: DL-LYSINE DIHYDROCHLORIDE; DL-LYSINE DI HCl; DL-Lysine dihydrochloride; DL-赖氨酸 二盐酸盐

Database IDs

• CAS Number: 617-68-5
• EC Number: 210-523-8
• MDL Number: MFCD00037587
• Beilstein Number: 5113177
• PubChem SID: 162088145; 24882277
• PubChem CID: 517175

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: 190-195 °C (dec.)

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99.0% (AT)
• Ignition Residue: ≤0.05%
• Linear Formula: NH2(CH2)4CH(NH2)COOH · 2HCl

DETAILS

MP Biomedicals - 02102213

Dihydrochloride
Crystalline

MP Biomedicals - 05202519

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 62910

Packaging
100 g in poly bottle