2-(3-aminopropoxy)naphthalene

• ChemBase ID: 238912
• Molecular Formular: C13H15NO
• Molecular Mass: 201.2643
• Monoisotopic Mass: 201.11536411
• SMILES: c12cc(ccc1cccc2)OCCCN
• Canonical SMILES: NCCCOc1ccc2c(c1)cccc2
• InChI: InChI=1S/C13H15NO/c14-8-3-9-15-13-7-6-11-4-1-2-5-12(11)10-13/h1-2,4-7,10H,3,8-9,14H2
• InChIKey: GGPOZDBJXGCCPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-aminopropoxy)naphthalene
• IUPAC Traditional name: 2-(3-aminopropoxy)naphthalene
• Synonyms: 2-(3-aminopropoxy)naphthalene

Database IDs

• MDL Number: MFCD09737534
• PubChem SID: 164294822
• PubChem CID: 16790751

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9482971
• LogD (pH = 7.4): -0.34991547
• Log P: 2.0680273
• Molar Refractivity: 61.7866 cm^3
• Polarizability: 25.668507 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.836

Product Information

• Purity: 95%