(2-methoxynaphthalen-1-yl)methanamine

• ChemBase ID: 18179
• Molecular Formular: C12H13NO
• Molecular Mass: 187.23772
• Monoisotopic Mass: 187.09971404
• SMILES: c1(c2c(ccc1OC)cccc2)CN
• Canonical SMILES: NCc1c(OC)ccc2c1cccc2
• InChI: InChI=1S/C12H13NO/c1-14-12-7-6-9-4-2-3-5-10(9)11(12)8-13/h2-7H,8,13H2,1H3
• InChIKey: REAOSNBEURFYOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxynaphthalen-1-yl)methanamine
• IUPAC Traditional name: (2-methoxynaphthalen-1-yl)methanamine
• Synonyms: C-(2-Methoxy-naphthalen-1-yl)-methylamine; (2-methoxynaphthalen-1-yl)methanamine; (2-methoxy-1-naphthyl)methylamine

Database IDs

• CAS Number: 136402-93-2
• MDL Number: MFCD02327725
• PubChem SID: 160981486
• PubChem CID: 6483887

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0061245
• LogD (pH = 7.4): 0.20607702
• Log P: 1.9308197
• Molar Refractivity: 57.4448 cm^3
• Polarizability: 23.818247 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.187

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%