2,6-diaminohexanoic acid hydrochloride

• ChemBase ID: 70581
• Molecular Formular: C6H15ClN2O2
• Molecular Mass: 182.6485
• Monoisotopic Mass: 182.08220541
• SMILES: C(=O)(C(CCCCN)N)O.Cl
• Canonical SMILES: NCCCCC(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
• InChIKey: BVHLGVCQOALMSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 70-53-1
• EC Number: 200-739-0
• MDL Number: MFCD00064563
• Beilstein Number: 4711993
• PubChem SID: 162036296; 24882280; 24896425
• PubChem CID: 12047

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: 265-270 °C (dec.); 267 °C (dec.)(lit.); 267°C(decomposes); 267°C dec.

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36
• Safety Statements: 26
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

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

DETAILS

MP Biomedicals - 02102214

Monohydrochloride
Crystalline

Sigma Aldrich - L6001

包装
1 kg in poly drum
25, 100 g in poly bottle