(2E,3Z)-3-ethylidene-2-(prop-2-en-1-ylidene)-6-(tributylstannyl)-2,3-dihydropyridine

• ChemBase ID: 65176
• Molecular Formular: C22H37NSn
• Molecular Mass: 434.23688
• Monoisotopic Mass: 435.19479419
• SMILES: C(=C)/C=c/1\c(=C/C)\ccc(n1)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1cc/c(=C/C)/c(=C\C=C)/n1)(CCCC)CCCC
• InChI: InChI=1S/C10H10N.3C4H9.Sn/c1-3-6-10-9(4-2)7-5-8-11-10;3*1-3-4-2;/h3-7H,1H2,2H3;3*1,3-4H2,2H3;/b9-4-,10-6+
• InChIKey: YRBFKFHZQDPOEC-CHCSYVTFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E,3Z)-3-ethylidene-2-(prop-2-en-1-ylidene)-6-(tributylstannyl)-2,3-dihydropyridine
• IUPAC Traditional name: (2E,3Z)-3-ethylidene-2-(prop-2-en-1-ylidene)-6-(tributylstannyl)pyridine
• Synonyms: 2-(Tributylstannyl)quinoline

Database IDs

• CAS Number: 868286-21-9
• MDL Number: MFCD01114677
• PubChem SID: 162030915
• PubChem CID: 66521754

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.3092604
• LogD (pH = 7.4): 5.311971
• Log P: 8.8819
• Molar Refractivity: 109.2519 cm^3
• Polarizability: 45.552845 Å^3
• Polar Surface Area: 12.36 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 94%