4-amino-5-phenylpentanoic acid hydrochloride

• ChemBase ID: 248921
• Molecular Formular: C11H16ClNO2
• Molecular Mass: 229.70324
• Monoisotopic Mass: 229.08695644
• SMILES: C(=O)(CCC(Cc1ccccc1)N)O.Cl
• Canonical SMILES: NC(Cc1ccccc1)CCC(=O)O.Cl
• InChI: InChI=1S/C11H15NO2.ClH/c12-10(6-7-11(13)14)8-9-4-2-1-3-5-9;/h1-5,10H,6-8,12H2,(H,13,14);1H
• InChIKey: GRIVOFSSJJYJNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-5-phenylpentanoic acid hydrochloride
• IUPAC Traditional name: 4-amino-5-phenylpentanoic acid hydrochloride
• Synonyms: 4-amino-5-phenylpentanoic acid hydrochloride

Database IDs

• PubChem SID: 164304831
• PubChem CID: 71758617

CALCULATED PROPERTIES

• Acid pKa: 4.570378
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.85092616
• LogD (pH = 7.4): -0.8126657
• Log P: -0.8129112
• Molar Refractivity: 54.4956 cm^3
• Polarizability: 21.492958 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 151 - 153°C
• Hydrophobicity(logP): -0.894

Product Information

• Purity: 95%