[(2H7)naphthalen-1-ylmethyl][(2E)-3-(tributylstannyl)prop-2-en-1-yl]amine

• ChemBase ID: 178937
• Molecular Formular: C26H41NSn
• Molecular Mass: 486.31144
• Monoisotopic Mass: 487.22609432
• SMILES: c12c(cccc1CNC/C=C/[Sn](CCCC)(CCCC)CCCC)cccc2
• Canonical SMILES: CCCC[Sn](/C=C/CNCc1cccc2c1cccc2)(CCCC)CCCC
• InChI: InChI=1S/C14H14N.3C4H9.Sn/c1-2-10-15-11-13-8-5-7-12-6-3-4-9-14(12)13;3*1-3-4-2;/h1-9,15H,10-11H2;3*1,3-4H2,2H3
• InChIKey: KTHCFCJLUZMISU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(^2H₇)naphthalen-1-ylmethyl][(2E)-3-(tributylstannyl)prop-2-en-1-yl]amine
• IUPAC Traditional name: [(^2H₇)naphthalen-1-ylmethyl][(2E)-3-(tributylstannyl)prop-2-en-1-yl]amine
• Synonyms: N-(E)-3-Tributyltinallyl-1-naphthalene-d7-methylamine

Database IDs

• CAS Number: 1310383-84-6
• PubChem SID: 164234847
• PubChem CID: 45040601

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 6.515348
• LogD (pH = 7.4): 8.3005905
• Log P: 9.2981
• Molar Refractivity: 122.8411 cm^3
• Polarizability: 53.879074 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; DMF; Ethanol; Ethyl Acetate; Methanol
• Apperance: Light Yellow Oil

DETAILS

Toronto Research Chemicals - T774022

A deuterated intermediate in the synthesis of the metabolite of Terbinafine, an orally active, antimycotic allylamine related to naftifine.