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

• ChemBase ID: 105439
• Molecular Formular: C6H16N2O3
• Molecular Mass: 164.20284
• Monoisotopic Mass: 164.11609238
• SMILES: O.NCCCC[C@H](N)C(=O)O
• Canonical SMILES: NCCCC[C@@H](C(=O)O)N.O
• InChI: InChI=1S/C6H14N2O2.H2O/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H2/t5-;/m0./s1
• InChIKey: HZRUTVAFDWTKGD-JEDNCBNOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2,6-diaminohexanoic acid hydrate
• IUPAC Traditional name: L-lysine hydrate
• Synonyms: L-Lysine hydrate; (S)-(+)-Lysine; L-Lysine hydrate; L-Lysine monohydrate; L-2,6-Diaminohexanoic acid; L-LYSINE; L-LYSINE FREE BASE; (S)-(+)-赖氨酸; L-赖氨酸 水合物; L-赖氨酸 一水合物

Database IDs

• CAS Number: 39665-12-8; 56-87-1
• EC Number: 200-294-2
• MDL Number: MFCD00151035
• Beilstein Number: 4349963
• PubChem SID: 24896515; 24882274; 24857062; 162092631
• PubChem CID: 16211825

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: 193
• Optical Rotation: [α]20/D +22.5±1°, c = 2% in 6 M HCl; [α]21/D +22°, c = 2 in 6 M HCl

Safety Information

• Storage Condition: 0°C
• RTECS: OL5540000
• German water hazard class: 1; 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.0%; ≥98.0% (NT); 97%; 98%
• Grade: purum; SAJ special grade
• Suitability: cell culture tested
• Impurities: endotoxin, tested
• Biological Source: from non-animal source
• Linear Formula: H2N(CH2)4CH(NH2)CO2H · xH2O
• Empirical Formula (Hill Notation): C6H14N2O2 · H2O

DETAILS

MP Biomedicals - 02194696

Cell Culture Reagent Free Base, Monohydrate Crystalline

MP Biomedicals - 02190224

Free Base, Monohydrate Crystalline

Sigma Aldrich - 282677

Packaging
25 g in glass bottle