1-phenylhexan-1-amine

• ChemBase ID: 269711
• Molecular Formular: C12H19N
• Molecular Mass: 177.28596
• Monoisotopic Mass: 177.15174961
• SMILES: c1(C(N)CCCCC)ccccc1
• Canonical SMILES: CCCCCC(c1ccccc1)N
• InChI: InChI=1S/C12H19N/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9,12H,2-3,5,10,13H2,1H3
• InChIKey: AGKIPYDSTSIPBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11184389
• PubChem SID: 164325621
• PubChem CID: 44818

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.36338183
• LogD (pH = 7.4): 1.0888466
• Log P: 3.3718176
• Molar Refractivity: 57.2772 cm^3
• Polarizability: 22.984314 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.519

Product Information

• Purity: 95%