(2S)-2-amino-6-(methylamino)hexanoic acid hydrochloride

• ChemBase ID: 102428
• Molecular Formular: C7H17ClN2O2
• Molecular Mass: 196.67508
• Monoisotopic Mass: 196.09785547
• SMILES: Cl.CNCCCC[C@H](N)C(=O)O
• Canonical SMILES: CNCCCC[C@@H](C(=O)O)N.Cl
• InChI: InChI=1S/C7H16N2O2.ClH/c1-9-5-3-2-4-6(8)7(10)11;/h6,9H,2-5,8H2,1H3,(H,10,11);1H/t6-;/m0./s1
• InChIKey: AQELUQTVJOFFBN-RGMNGODLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-6-(methylamino)hexanoic acid hydrochloride
• IUPAC Traditional name: N-methyl-L-lysine hydrochloride
• Synonyms: Nε-Methyl-L-lysine hydrochloride; ε-N-METHYL-L-LYSINE; Nε-甲基-L-赖氨酸 盐酸盐

Database IDs

• CAS Number: 7622-29-9
• EC Number: 231-539-1
• MDL Number: MFCD00012621
• PubChem SID: 162089351
• PubChem CID: 2724391

CALCULATED PROPERTIES

• Acid pKa: 2.7952435
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -5.733978
• LogD (pH = 7.4): -4.772217
• Log P: -2.912142
• Molar Refractivity: 42.5841 cm^3
• Polarizability: 17.199104 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Optical Rotation: [α]/D 20.5±1.5°, c = 0.1 in 1 M HCl

Safety Information

• Storage Condition: 0°C
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319
• GHS Precautionary statements: P305 + P351 + P338
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (TLC); 98%
• Empirical Formula (Hill Notation): C7H16N2O2 · HCl

DETAILS

MP Biomedicals - 02101647

Hydrochloride
Crystalline

Sigma Aldrich - 04685

Biochem/physiol Actions
N ε-methyl-L-lysine was identified as a lysine analog with inhibitory effects on the growth and sporulation of Penicillium chrysogenum and benzyl-penicillin formation by mycelia. 1