1-(4-Tert-butylphenyl)-2-pyrimidin-4-ylethanone

Base Information

• Chemical Name: 1-(4-Tert-butylphenyl)-2-pyrimidin-4-ylethanone
• CAS No.: 849021-29-0
• Molecular Formula: C16H18 N2 O
• Molecular Weight: 254.33
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID30375475
• Wikidata: Q82164015
• Mol file: 849021-29-0.mol

Synonyms:849021-29-0;1-(4-tert-butylphenyl)-2-pyrimidin-4-ylethanone;1-(4-tert-Butylphenyl)-2-pyrimidin-4-yl ethanone;1-(4-(tert-Butyl)phenyl)-2-(pyrimidin-4-yl)ethanone;Ethanone,1-[4-(1,1-dimethylethyl)phenyl]-2-(4-pyrimidinyl)-;1-(4-tert-butylphenyl)-2-(pyrimidin-4-yl)ethanone;DTXSID30375475;AKOS015838121;SB59337;CS-0456188;1-(4-tert-butylphenyl)-2-pyrimidin-4-yl-ethanone;1-(4-(Tert-butyl)phenyl)-2-(pyrimidin-4-yl)ethan-1-one

Chemical Property of 1-(4-Tert-butylphenyl)-2-pyrimidin-4-ylethanone

Chemical Property:

• PSA: 42.85000
• LogP: 3.19950
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 254.141913202
• Heavy Atom Count: 19
• Complexity: 300

Purity/Quality:

98%min ^*data from raw suppliers

1-(4-tert-Butylphenyl)-2-(pyrimidin-4-yl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)CC2=NC=NC=C2