(1S)-5-amino-1-carboxypentan-1-aminium chloride

• ChemBase ID: 302059
• Molecular Formular: C6H15ClN2O2
• Molecular Mass: 182.6485
• Monoisotopic Mass: 182.08220541
• SMILES: C(CCN)C[C@@H](C(=O)O)[NH3+].[Cl-]
• Canonical SMILES: NCCCC[C@@H](C(=O)O)[NH3+].[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-;/m0./s1
• InChIKey: BVHLGVCQOALMSV-JEDNCBNOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-5-amino-1-carboxypentan-1-aminium chloride
• IUPAC Traditional name: (1S)-5-amino-1-carboxypentan-1-aminium chloride
• Synonyms: (R)-2,6-Diaminohexanoic acid monohydrochloride; H-D-Lys-OH.HCl; D-Lysine monohydrochloride; 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

CALCULATED PROPERTIES

• Acid pKa: 2.7382863
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -5.9555907
• LogD (pH = 7.4): -4.978252
• Log P: -3.2145348
• Molar Refractivity: 49.1023 cm^3
• Polarizability: 15.312439 Å^3
• Polar Surface Area: 90.96 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ca 260°C dec.
• Optical Rotation: -20 (c=5 in 5N HCl)

Safety Information

• RTECS: OL5632500
• TSCA Listed: 是

Product Information

• Purity: 98%