N1-(4-Nitro-2-trifluoromethyl-phenyl)-propane-1,3-diamine

Base Information

• Chemical Name: N1-(4-Nitro-2-trifluoromethyl-phenyl)-propane-1,3-diamine
• CAS No.: 381241-12-9
• Molecular Formula: C10H12F3N3O2
• Molecular Weight: 263.2163896
• DSSTox Substance ID: DTXSID50387272
• Wikidata: Q82181338
• ChEMBL ID: CHEMBL1621113
• Mol file: 381241-12-9.mol

Synonyms:381241-12-9;N1-(4-Nitro-2-trifluoromethyl-phenyl)-propane-1,3-diamine;N'-[4-nitro-2-(trifluoromethyl)phenyl]propane-1,3-diamine;N-[4-nitro-2-(trifluoromethyl)phenyl]propane-1,3-diamine hydrochloride;CHEMBL1621113;DTXSID50387272;XIUIJVYLNXWBFZ-UHFFFAOYSA-N;STK080178;AKOS000627189;CS-0314835;N-[4-nitro-2-(trifluoromethyl)phenyl]propane-1,3-diamine;N1-(4-nitro-2-(trifluoromethyl)phenyl)propane-1,3-diamine

Chemical Property of N1-(4-Nitro-2-trifluoromethyl-phenyl)-propane-1,3-diamine

Chemical Property:

• PSA: 83.87000
• LogP: 3.67080
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 263.08816112
• Heavy Atom Count: 18
• Complexity: 281

Purity/Quality:

99% ^*data from raw suppliers

N1-(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: C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)NCCCN