methyl(naphthalen-1-ylmethyl)amine

• ChemBase ID: 10315
• Molecular Formular: C12H13N
• Molecular Mass: 171.23832
• Monoisotopic Mass: 171.10479942
• SMILES: c1ccc2c(c1)c(ccc2)CNC
• Canonical SMILES: CNCc1cccc2c1cccc2
• InChI: InChI=1S/C12H13N/c1-13-9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8,13H,9H2,1H3
• InChIKey: MQRIUFVBEVFILS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(naphthalen-1-ylmethyl)amine
• IUPAC Traditional name: methyl(naphthalen-1-ylmethyl)amine
• Synonyms: N-Methyl-1-naphthalenemethanamine; [(Naphthalen-1-yl)methyl]methylamine; N-Methyl-N-[(naphthalen-1-yl)methyl]amine; N-Methyl-N-[(1-naphthyl)methyl]amine; 1-Methylaminomethylnaphthalene; NSC 129392; Methyl-1-naphthalenemethylamine; N-Methylnaphthalene-1-methylamine; N-Methyl-1-(naphthalen-1-yl)methanamine

Database IDs

• CAS Number: 14489-75-9
• MDL Number: MFCD00144934
• PubChem SID: 160973622
• PubChem CID: 84474

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6959602
• LogD (pH = 7.4): 0.034333013
• Log P: 2.5210714
• Molar Refractivity: 55.7562 cm^3
• Polarizability: 23.243214 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Methanol
• Apperance: Yellow Oil
• Boiling Point: 104-105°C/0.05mm

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%