2,6-diaminohexanoic acid

• ChemBase ID: 109030
• Molecular Formular: C6H14N2O2
• Molecular Mass: 146.18756
• Monoisotopic Mass: 146.1055277
• SMILES: NCCCCC(N)C(=O)O
• Canonical SMILES: NCCCCC(C(=O)O)N
• InChI: InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)
• InChIKey: KDXKERNSBIXSRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-diaminohexanoic acid
• IUPAC Traditional name: lysine
• Synonyms: DL-LYSINE MONO HCl; (±)-2,6-Diaminocaproic acid; DL-Lysine; (+/-)-2,6-Diaminohexanoic acid monohydrate; H-DL-Lys-OH.H_2O; DL-Lysine monohydrate; L-Lysine; DL-Lysine; 2,6-diaminohexanoic acid; 2,6-diaminohexanoic acid; Lysine; (±)-2,6-二氨基己酸; DL-赖氨酸; DL-赖氨酸一水化合物

Database IDs

• CAS Number: 885701-25-7; 70-54-2; 56-87-1; 70-53-1
• EC Number: 200-740-6
• MDL Number: MFCD00064433; MFCD00151036; MFCD00064432
• Beilstein Number: 1616991
• PubChem SID: 162095020; 24896317
• PubChem CID: 866
• CHEBI ID: 25094
• ATC CODE: B05XB03
• CHEMBL: 28328
• Chemspider ID: 843
• IUPHAR ligand ID: 724
• KEGG ID: C16440
• Wikipedia Title: Lysine

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

• Solubility: 1.5kg/L @ 25 °C in water
• Melting Point: ~175 °C; 168 - 170°C; 170 °C (dec.)(lit.); ca 110°C
• Hydrophobicity(logP): -3.424

Safety Information

• RTECS: OL5540000
• German water hazard class: 1
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥95.0% (NT); ≥98% (TLC); 95%; 95+%; 98%; 98+%
• Grade: purum
• Impurities: ≤2% water
• Linear Formula: NH2(CH2)4CH(NH2)COOH

DETAILS

MP Biomedicals - 05209588

MP Biomedicals Rare Chemical collection