N-methylnaphthalen-2-amine

• ChemBase ID: 234406
• Molecular Formular: C11H11N
• Molecular Mass: 157.21174
• Monoisotopic Mass: 157.08914936
• SMILES: c12cc(NC)ccc1cccc2
• Canonical SMILES: CNc1ccc2c(c1)cccc2
• InChI: InChI=1S/C11H11N/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8,12H,1H3
• InChIKey: IJNQJQRKLLCLMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylnaphthalen-2-amine
• IUPAC Traditional name: N-methylnaphthalen-2-amine
• Synonyms: N-methyl-N-2-naphthylamine

Database IDs

• CAS Number: 2216-67-3
• MDL Number: MFCD00962475
• PubChem SID: 164290316
• PubChem CID: 137505

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.4013648
• LogD (pH = 7.4): 2.4350538
• Log P: 2.4355006
• Molar Refractivity: 52.702 cm^3
• Polarizability: 20.97245 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.815

Product Information

• Purity: 95%