(2R)-2,6-diaminohexanoic acid hydrochloride

• ChemBase ID: 102570
• Molecular Formular: C6H15ClN2O2
• Molecular Mass: 182.6485
• Monoisotopic Mass: 182.08220541
• SMILES: Cl.NCCCC[C@@H](N)C(=O)O
• Canonical SMILES: NCCCC[C@H](C(=O)O)N.Cl
• InChI: InChI=1S/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m1./s1
• InChIKey: BVHLGVCQOALMSV-NUBCRITNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2,6-diaminohexanoic acid hydrochloride
• IUPAC Traditional name: D-lysine hydrochloride
• Synonyms: (R)-2,6-diaminohexanoic acid hydrochloride; D-Lysine monohydrochloride; (R)-2,6-Diaminohexanoic acid monohydrochloride; D-2,6-Diaminohexanoic acid monohydrochloride; D-LYSINE MONOHYDROCHLORIDE; (2R)-2,6-diaminohexanoic acid hydrochloride; D-Lysine hydrochloride; (R)-2,6-二氨基己酸 单盐酸盐; D-赖氨酸 单盐酸盐

Database IDs

• CAS Number: 7274-88-6
• EC Number: 230-691-6
• MDL Number: MFCD00012920
• Beilstein Number: 4356907
• PubChem SID: 24882279; 162088974; 24896421
• PubChem CID: 81691

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: ~260 °C (dec.); 266 °C (dec.)(lit.); 266°C
• Optical Rotation: [α]20/D -20.5±0.5°, c = 5% in 5 M HCl; [α]20/D -21°, c = 2 in 5 M HCl
• Hydrophobicity(logP): -3.424

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate
• RTECS: OL5632500
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99%; ≥98% (TLC); ≥99.0% (AT); 95%; 98%; 99%
• Grade: puriss.
• Salt Data: HCl
• Ignition Residue: ≤0.05%
• Linear Formula: H2N(CH2)4CH(NH2)CO2H·HCl

DETAILS

MP Biomedicals - 02102212

Monohydrochloride
Crystalline
Purity: 99+%

Sigma Aldrich - L5876

包装
5, 25 g in poly bottle