6-ethoxynaphthalen-2-amine

• ChemBase ID: 88113
• Molecular Formular: C12H13NO
• Molecular Mass: 187.23772
• Monoisotopic Mass: 187.09971404
• SMILES: Nc1cc2ccc(cc2cc1)OCC
• Canonical SMILES: CCOc1ccc2c(c1)ccc(c2)N
• InChI: InChI=1S/C12H13NO/c1-2-14-12-6-4-9-7-11(13)5-3-10(9)8-12/h3-8H,2,13H2,1H3
• InChIKey: QZQNQRWVSFPEGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethoxynaphthalen-2-amine
• IUPAC Traditional name: 6-ethoxynaphthalen-2-amine
• Synonyms: 6-Ethoxynaphthalen-2-amine; 2-Amino-6-ethoxynaphthalene

Database IDs

• CAS Number: 293733-21-8
• MDL Number: MFCD11520105
• PubChem SID: 162075152
• PubChem CID: 44119485

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3153484
• LogD (pH = 7.4): 2.3327074
• Log P: 2.3329334
• Molar Refractivity: 58.4204 cm^3
• Polarizability: 23.404358 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant