4,4'-Dinonyl-2,2'-bipyridyl

• CAS: 142646-58-0
• Catalog Number: ACM142646580-2
• Category: Polymer/Macromolecule
• Molecular Weight: 408.66
• Molecular Formula: C28H44N2
• Description: 4,4'-Dimethyl-2,2'-dipyridyl (dmbipy) may be used as a ligand in the synthesis of :• carbonato-bridged triangular trinuclear compounds and tetranuclear hydroxo-bridged compounds• dmbipy-copper bridged complexes, which show variation in crystal geometries, thermal and magnetic properties
• Synonyms: 4-Nonyl-2-(4-Nonylpyridin-2-Yl)Pyridine; 2,2'-Bipyridine
• IUPAC Name: 4-nonyl-2-(4-nonylpyridin-2-yl)pyridine
• Canonical SMILES: CCCCCCCCCC1=CC(=NC=C1)C2=NC=CC(=C2)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
• InChI Key: VHJFWJXYEWHCGD-UHFFFAOYSA-N
• Boiling Point: 273 °C(lit.)
• Melting Point: 63 °C
• Flash Point: 228.2 °F
• Appearance: White to off-white solid or crystal
• Complexity: 347
• Condition To Avoid: Heat Sensitive
• Covalently-Bonded Unit Count: 1
• Exact Mass: 408.35g/mol
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 2
• Heavy Atom Count: 30
• MDL Number: MFCD00800915
• Monoisotopic Mass: 408.35g/mol
• Precautionary Statements: P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
• Refractive Index: n20/D 1.519
• Rotatable Bond Count: 17
• Signal Word: Warning
• Topological Polar Surface Area: 25.8A^2

Custom Q&A

What is the molecular formula of 4,4'-Dinonyl-2,2'-bipyridyl?

The molecular formula of 4,4'-Dinonyl-2,2'-bipyridyl is C28H46N2.

What is the molecular weight of 4,4'-Dinonyl-2,2'-bipyridyl?

The molecular weight of 4,4'-Dinonyl-2,2'-bipyridyl is 410.7 g/mol.

What is the IUPAC name of 4,4'-Dinonyl-2,2'-bipyridyl?

The IUPAC name of 4,4'-Dinonyl-2,2'-bipyridyl is 4,4-di(nonyl)-2-pyridin-2-yl-3H-pyridine.

What is the InChI of 4,4'-Dinonyl-2,2'-bipyridyl?

The InChI of 4,4'-Dinonyl-2,2'-bipyridyl is InChI=1S/C28H46N2/c1-3-5-7-9-11-13-16-20-28(21-17-14-12-10-8-6-4-2)22-24-30-27(25-28)26-19-15-18-23-29-26/h15,18-19,22-24H,3-14,16-17,20-21,25H2,1-2H3.

What is the InChIKey of 4,4'-Dinonyl-2,2'-bipyridyl?

The InChIKey of 4,4'-Dinonyl-2,2'-bipyridyl is JLPLVIPEXNMWGC-UHFFFAOYSA-N.

What is the canonical SMILES of 4,4'-Dinonyl-2,2'-bipyridyl?

The canonical SMILES of 4,4'-Dinonyl-2,2'-bipyridyl is CCCCCCCCCC1(CC(=NC=C1)C2=CC=CC=N2)CCCCCCCCC.

What is the XLogP3-AA value of 4,4'-Dinonyl-2,2'-bipyridyl?

The XLogP3-AA value of 4,4'-Dinonyl-2,2'-bipyridyl is 11.

How many hydrogen bond donor count does 4,4'-Dinonyl-2,2'-bipyridyl have?

4,4'-Dinonyl-2,2'-bipyridyl does not have any hydrogen bond donor count.

How many hydrogen bond acceptor count does 4,4'-Dinonyl-2,2'-bipyridyl have?

4,4'-Dinonyl-2,2'-bipyridyl has 2 hydrogen bond acceptor count.

How many rotatable bond count does 4,4'-Dinonyl-2,2'-bipyridyl have?

4,4'-Dinonyl-2,2'-bipyridyl has 17 rotatable bond count.