N-benzyl-3-nitroaniline structure

N-benzyl-3-nitroaniline

N-benzyl-3-nitroaniline

Also Known As: N-benzyl-3-nitroaniline|N-benzyl-3-nitrobenzenamin|(3-nitrophenyl)benzylamine|N-Benzyl-m-nitroaniline|N-benzyl-3-nitro-aniline|N-(3-nitrophenyl)benzylamine|AURORA 910|Oprea1_849408|CBDivE_004268|Benzenemethanamine,N-(3-nitrophenyl)-|BENZYL-(3-NITRO-PHENYL)-AMINE|HS-7192|J1.590.994C|AB00075635-01|SR-01000199100-1|F3097-0514|Boc-(S)-3-Amino-3-(3-trifluoromethyl-phenyl)-propionicacid

CAS: 33334-94-0
Molecular Formula C13H12N2O2
Molecular Weight 228.08987 g/mol
LogP 3.0
Topological Polar Surface Area 57.9 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
Rotatable Bonds 3
Exact Mass 228.08987
Monoisotopic Mass 228.08987
Heavy Atoms 17
Complexity 246.0

Chemical Identifiers

CAS Number 33334-94-0
SMILES C1=CC=C(C=C1)CNC2=CC(=CC=C2)[N+](=O)[O-]
InChIKey OVZNWAWUJPSLHM-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.

Heterocyclic Building Blocks (25 patents) Organic Building Blocks (36 patents) Pharmaceutical Intermediates (12 patents)

Product Overview

N-benzyl-3-nitroaniline (CAS 33334-94-0), with molecular formula C13H12N2O2 and molecular weight 228.08987 g/mol. IUPAC: N-benzyl-3-nitroaniline.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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