4-nonyl-2-(4-nonylpyridin-2-yl)pyridine

• ChemBase ID: 149294
• Molecular Formular: C28H44N2
• Molecular Mass: 408.66236
• Monoisotopic Mass: 408.35044942
• SMILES: CCCCCCCCCc1ccnc(c1)c1cc(ccn1)CCCCCCCCC
• Canonical SMILES: CCCCCCCCCc1ccnc(c1)c1nccc(c1)CCCCCCCCC
• InChI: InChI=1S/C28H44N2/c1-3-5-7-9-11-13-15-17-25-19-21-29-27(23-25)28-24-26(20-22-30-28)18-16-14-12-10-8-6-4-2/h19-24H,3-18H2,1-2H3
• InChIKey: VHJFWJXYEWHCGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-nonyl-2-(4-nonylpyridin-2-yl)pyridine
• IUPAC Traditional name: 4-nonyl-2-(4-nonylpyridin-2-yl)pyridine
• Synonyms: dNbpy; 4,4′-Dinonyl-2,2′-dipyridyl; 4,4'-Di-n-nonyl-2,2'-dipyridyl; 4,4'-Di-n-nonyl-2,2'-bipyridine; 4,4′-二壬基-2,2′-联吡啶; 4,4'-二壬基-2,2'-联吡啶

Database IDs

• CAS Number: 142646-58-0
• MDL Number: MFCD00800915
• PubChem SID: 162243462; 24871818
• PubChem CID: 4285174

CALCULATED PROPERTIES

• Lipinski's Rule of Five: false
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 10.085195
• LogD (pH = 7.4): 10.096621
• Log P: 10.096768
• Molar Refractivity: 129.8348 cm^3
• Polarizability: 52.652874 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 17

PROPERTIES

Physical Property

• Melting Point: 61-63 °C(lit.); 61-63°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C28H44N2

DETAILS

Sigma Aldrich - 482250

Packaging
1, 5 g in glass bottle