2-amino-2,5-dimethylhexanoic acid hydrochloride

• ChemBase ID: 257387
• Molecular Formular: C8H18ClNO2
• Molecular Mass: 195.68702
• Monoisotopic Mass: 195.1026065
• SMILES: C(=O)(C(CCC(C)C)(N)C)O.Cl
• Canonical SMILES: CC(CCC(C(=O)O)(N)C)C.Cl
• InChI: InChI=1S/C8H17NO2.ClH/c1-6(2)4-5-8(3,9)7(10)11;/h6H,4-5,9H2,1-3H3,(H,10,11);1H
• InChIKey: CHJVZBUSPZQPPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2,5-dimethylhexanoic acid hydrochloride
• IUPAC Traditional name: 2-amino-2,5-dimethylhexanoic acid hydrochloride
• Synonyms: 2-amino-2,5-dimethylhexanoic acid hydrochloride

Database IDs

• MDL Number: MFCD11505412
• PubChem SID: 164313297
• PubChem CID: 42948571

CALCULATED PROPERTIES

• Acid pKa: 2.8577662
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.70980966
• LogD (pH = 7.4): -0.7107276
• Log P: -0.70929617
• Molar Refractivity: 43.4852 cm^3
• Polarizability: 17.506392 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 219 - 221°C
• Hydrophobicity(logP): -0.632

Product Information

• Purity: 95%