5-phenylpentan-1-amine

• ChemBase ID: 269386
• Molecular Formular: C11H17N
• Molecular Mass: 163.25938
• Monoisotopic Mass: 163.13609955
• SMILES: NCCCCCc1ccccc1
• Canonical SMILES: NCCCCCc1ccccc1
• InChI: InChI=1S/C11H17N/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10,12H2
• InChIKey: CGNLNKFBSBFJHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-phenylpentan-1-amine
• IUPAC Traditional name: 5-phenylpentan-1-amine
• Synonyms: 5-phenylpentan-1-amine

Database IDs

• CAS Number: 17734-21-3
• MDL Number: MFCD00870521
• PubChem SID: 164325296
• PubChem CID: 140275

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.30260667
• LogD (pH = 7.4): 0.11717318
• Log P: 2.7213814
• Molar Refractivity: 53.0894 cm^3
• Polarizability: 21.059536 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.87

Product Information

• Purity: 95%; 98%