2-(naphthalen-1-yl)ethan-1-amine

• ChemBase ID: 257337
• Molecular Formular: C12H13N
• Molecular Mass: 171.23832
• Monoisotopic Mass: 171.10479942
• SMILES: c12c(cccc1cccc2)CCN
• Canonical SMILES: NCCc1cccc2c1cccc2
• InChI: InChI=1S/C12H13N/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9,13H2
• InChIKey: RUJHATQMIMUYKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-1-yl)ethan-1-amine
• IUPAC Traditional name: 2-(naphthalen-1-yl)ethanamine
• Synonyms: 2-(1-naphthyl)ethanamine

Database IDs

• CAS Number: 104033-62-7
• MDL Number: MFCD01529866
• PubChem SID: 164313247
• PubChem CID: 20853

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6306495
• LogD (pH = 7.4): 0.10348385
• Log P: 2.3771522
• Molar Refractivity: 55.7366 cm^3
• Polarizability: 23.159702 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.607

Product Information

• Purity: 95%