Basic information
- CAS
34913-07-0- Standard SMILES
CCCCCOc1ccc(-c2cnc(-c3ccc(CCCCC)cc3)nc2)cc1- InChIKey
FYLPYTMMMJGOSL-UHFFFAOYSA-N- Molecular formula
- C26H32N2O
- Average molar mass
- 388.5 g/mol
- Monoisotopic mass
- 388.25146365
Names & identifiers
- Preferred name
- 5-(4-(Pentyloxy)phenyl)-2-(4-pentylphenyl)pyrimidine
- IUPAC
- 5-(4-pentoxyphenyl)-2-(4-pentylphenyl)pyrimidine
Names & synonyms
5-(4-(Pentyloxy)phenyl)-2-(4-pentylphenyl)pyrimidine34913-07-0DTXSID5074262Pyrimidine, 5-(4-(pentyloxy)phenyl)-2-(4-pentylphenyl)-5-[4-(Pentyloxy)phenyl]-2-(4-pentylphenyl)pyrimidineRefChem:530137DTXCID4038926SCHEMBL68851395-(4-Pentyloxy-phenyl)-2-(4-pentyl-phenyl)-pyrimidine
Database identifiers
- CAS
34913-07-0- PubChem CID
- 36985
- DTXSID
DTXSID5074262
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 405
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile
An amine. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Safety & protection
Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill ResponseSTORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)
Personal Protective Equipment (PPE)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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