1-(3-aminopropoxy)naphthalene hydrochloride

• ChemBase ID: 262836
• Molecular Formular: C13H16ClNO
• Molecular Mass: 237.72524
• Monoisotopic Mass: 237.09204182
• SMILES: c12c(OCCCN)cccc1cccc2.Cl
• Canonical SMILES: NCCCOc1cccc2c1cccc2.Cl
• InChI: InChI=1S/C13H15NO.ClH/c14-9-4-10-15-13-8-3-6-11-5-1-2-7-12(11)13;/h1-3,5-8H,4,9-10,14H2;1H
• InChIKey: FBHJTHPYKGDDBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-aminopropoxy)naphthalene hydrochloride
• IUPAC Traditional name: 1-(3-aminopropoxy)naphthalene hydrochloride
• Synonyms: 1-(3-aminopropoxy)naphthalene hydrochloride

Database IDs

• MDL Number: MFCD13195890
• PubChem SID: 164318746
• PubChem CID: 45792168

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9482971
• LogD (pH = 7.4): -0.34991542
• Log P: 2.0680273
• Molar Refractivity: 61.7866 cm^3
• Polarizability: 25.672531 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%