N-(4-Methoxybenzyl)-3-nitroaniline

Base Information

• Chemical Name: N-(4-Methoxybenzyl)-3-nitroaniline
• CAS No.: 305851-22-3
• Molecular Formula: C14H14N2O3
• Molecular Weight: 258.27
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID40388117
• Wikidata: Q82182859
• ChEMBL ID: CHEMBL258518
• Mol file: 305851-22-3.mol

Synonyms:N-(4-Methoxybenzyl)-3-nitroaniline;305851-22-3;N-[(4-methoxyphenyl)methyl]-3-nitroaniline;Benzenemethanamine, 4-methoxy-N-(3-nitrophenyl)-;CHEMBL258518;DTXSID40388117;JS-189C;MFCD00024365;STL495465;AKOS005073019;SB81438;CS-0318154;SR-01000302468;SR-01000302468-1

Chemical Property of N-(4-Methoxybenzyl)-3-nitroaniline

Chemical Property:

• Melting Point: 98-99
• Boiling Point: 417.4±30.0 °C(Predicted)
• PKA: 1.82±0.15(Predicted)
• PSA: 67.08000
• Density: 1.257±0.06 g/cm3(Predicted)
• LogP: 3.81170
• Storage Temp.: 2-8°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 258.10044231
• Heavy Atom Count: 19
• Complexity: 285

Purity/Quality:

98%min ^*data from raw suppliers

N-(4-Methoxybenzyl)-3-nitroaniline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)CNC2=CC(=CC=C2)[N+](=O)[O-]