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

• ChemBase ID: 102575
• Molecular Formular: C6H16Cl2N2O2
• Molecular Mass: 219.10944
• Monoisotopic Mass: 218.05888312
• SMILES: Cl.Cl.NCCCC[C@H](N)C(=O)O
• Canonical SMILES: NCCCC[C@@H](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/t5-;;/m0../s1
• InChIKey: JBBURJFZIMRPCZ-XRIGFGBMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2,6-diaminohexanoic acid dihydrochloride
• IUPAC Traditional name: L-lysine dihydrochloride
• Synonyms: (S)-2,6-Diaminohexanoic acid dihydrochloride; 2,6-Diaminohexanoic acid dihydrochloride; L-LYSINE DIHYDROCHLORIDE; (S)-2,6-Diaminohexanoic acid dihydrochloride; L-Lysine dihydrochloride; L-LYSINE DI HCl; L-赖氨酸盐二盐酸盐; (S)-2,6-二氨基己酸 二盐酸盐; L-赖氨酸 二盐酸盐

Database IDs

• CAS Number: 657-26-1; 284664-88-6; 6150-68-1
• EC Number: 211-518-3
• MDL Number: MFCD00066389
• Beilstein Number: 4539715
• Merck Index: 145636
• PubChem SID: 24896413; 162089951
• PubChem CID: 69567

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(lit.); 202-206°C
• Optical Rotation: [α]20/D +17°, c = 2 in 6 M HCl

Safety Information

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

Product Information

• Purity: ≥98% (TLC); 95+%; 99%
• Linear Formula: NH2(CH2)4CH(NH2)COOH · 2HCl

DETAILS

MP Biomedicals - 02102220

Dihydrochloride
Crystalline

MP Biomedicals - 05208671

MP Biomedicals Rare Chemical collection

Sigma Aldrich - L5751

包装
25, 100 g in poly bottle