N-methylnaphthalen-1-amine

• ChemBase ID: 263042
• Molecular Formular: C11H11N
• Molecular Mass: 157.21174
• Monoisotopic Mass: 157.08914936
• SMILES: c12c(NC)cccc1cccc2
• Canonical SMILES: CNc1cccc2c1cccc2
• InChI: InChI=1S/C11H11N/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8,12H,1H3
• InChIKey: AKEYUWUEAXIBTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylnaphthalen-1-amine
• IUPAC Traditional name: 1-naphthalenamine, N-methyl-
• Synonyms: N-methylnaphthalen-1-amine

Database IDs

• CAS Number: 2216-68-4
• MDL Number: MFCD00972770
• PubChem SID: 164318952
• PubChem CID: 16667

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.4138749
• LogD (pH = 7.4): 2.4352217
• Log P: 2.4355006
• Molar Refractivity: 52.702 cm^3
• Polarizability: 20.97485 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%; 95+%