6-phenylhexan-1-amine

• ChemBase ID: 248987
• Molecular Formular: C12H19N
• Molecular Mass: 177.28596
• Monoisotopic Mass: 177.15174961
• SMILES: NCCCCCCc1ccccc1
• Canonical SMILES: NCCCCCCc1ccccc1
• InChI: InChI=1S/C12H19N/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11,13H2
• InChIKey: ZSXRNISZKBBQRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-phenylhexan-1-amine
• IUPAC Traditional name: 6-phenylhexan-1-amine
• Synonyms: 6-phenylhexan-1-amine

Database IDs

• MDL Number: MFCD07369635
• PubChem SID: 164304897
• PubChem CID: 145558

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.14196189
• LogD (pH = 7.4): 0.56173843
• Log P: 3.16595
• Molar Refractivity: 57.6904 cm^3
• Polarizability: 22.906502 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.399

Product Information

• Purity: 95%