N',N'-dimethyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propane-1,3-diamine

Base Information

• Chemical Name: N',N'-dimethyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propane-1,3-diamine
• CAS No.: 1001806-94-5
• Molecular Formula: C12H16F3N3O2
• Molecular Weight: 291.2695496
• DSSTox Substance ID: DTXSID80377646
• Wikidata: Q82166941
• Mol file: 1001806-94-5.mol

Synonyms:1001806-94-5;N',N'-dimethyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propane-1,3-diamine;1,3-Propanediamine, N1,N1-dimethyl-N3-[4-nitro-2-(trifluoromethyl)phenyl]-;N,N-Dimethyl-N'-(4-nitro-2-trifluoromethyl-phenyl)-propane-1,3-diamine;DTXSID80377646

Chemical Property of N',N'-dimethyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propane-1,3-diamine

Chemical Property:

• PSA: 61.09000
• LogP: 3.57340
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 291.11946125
• Heavy Atom Count: 20
• Complexity: 318

Purity/Quality:

N,N-Dimethyl-N'-(4-nitro-2-trifluoromethyl-phenyl)-propane-1,3-diamine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F