methyl[(2H7)naphthalen-1-ylmethyl]amine

• ChemBase ID: 174982
• Molecular Formular: C12H13N
• Molecular Mass: 171.23832
• Monoisotopic Mass: 171.10479942
• SMILES: c12c(cccc1CNC)cccc2
• 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[(^2H₇)naphthalen-1-ylmethyl]amine
• IUPAC Traditional name: methyl[(^2H₇)naphthalen-1-ylmethyl]amine
• Synonyms: N-Methyl-N-[(naphthalen-1-yl)methyl]amine-d7; N-Methyl-1-naphthylmethylamine-d7; N-(Naphthalen-1-yl-methyl)-N-methylamine-d7; Methyl(naphthalen-1-ylmethyl)amine-d7; Methyl(1-naphthylmethyl)amine-d7; NSC 129392-d7; N-(1-Naphthyl-d7-methyl)methylamine

Database IDs

• CAS Number: 1189686-07-4
• PubChem SID: 164230892
• PubChem CID: 45039996

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: 23.27695 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; DMF; Methanol
• Apperance: Brown Oil