4-phenylbutan-1-amine hydrochloride

• ChemBase ID: 813258
• Molecular Formular: C10H16ClN
• Molecular Mass: 185.69374
• Monoisotopic Mass: 185.0971272
• SMILES: Cl.NCCCCc1ccccc1
• Canonical SMILES: NCCCCc1ccccc1.Cl
• InChI: InChI=1S/C10H15N.ClH/c11-9-5-4-8-10-6-2-1-3-7-10;/h1-3,6-7H,4-5,8-9,11H2;1H
• InChIKey: DGDORWAJHREUEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenylbutan-1-amine hydrochloride
• IUPAC Traditional name: 4-phenylbutylamine hydrochloride
• Synonyms: 4-PHENYLBUTYLAMINE HYDROCHLORIDE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.74716836
• LogD (pH = 7.4): -0.32718626
• Log P: 2.2768128
• Molar Refractivity: 48.4884 cm^3
• Polarizability: 19.212584 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%