4-amino-3-phenylbutan-1-ol

• ChemBase ID: 278384
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: c1(C(CN)CCO)ccccc1
• Canonical SMILES: OCCC(c1ccccc1)CN
• InChI: InChI=1S/C10H15NO/c11-8-10(6-7-12)9-4-2-1-3-5-9/h1-5,10,12H,6-8,11H2
• InChIKey: BKZXXZZHXOYACN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-3-phenylbutan-1-ol
• IUPAC Traditional name: 4-amino-3-phenylbutan-1-ol
• Synonyms: 4-amino-3-phenylbutan-1-ol

Database IDs

• MDL Number: MFCD08361654
• PubChem SID: 164334294
• PubChem CID: 17750896

CALCULATED PROPERTIES

• Acid pKa: 15.951978
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.2275703
• LogD (pH = 7.4): -1.2900621
• Log P: 0.76053834
• Molar Refractivity: 50.2877 cm^3
• Polarizability: 19.777323 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.374

Product Information

• Purity: 95%