Nitroanilines

azane;1-methyl-4-nitrobenzene;2-nitroaniline;3-nitroaniline

CAS: 29757-24-2

Molecular Formula	`C19H22N6O6`
Molecular Weight	430.4 g/mol
Topological Polar Surface Area	191.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	9
Rotatable Bonds	0
Exact Mass	430.1601
Heavy Atoms	31
Complexity	386.0

Chemical Identifiers

CAS Number	29757-24-2
SMILES	`CC1=CC=C(C=C1)[N+](=O)[O-].C1=CC=C(C(=C1)N)[N+](=O)[O-].C1=CC(=CC(=C1)[N+](=O)[O-])N.N`
InChIKey	`JPSBDEKDVCCMJP-UHFFFAOYSA-N`

📖 Product Overview

Nitroanilines (CAS: 29757-24-2) is a chemical compound with molecular formula C19H22N6O6 and molecular weight 430.4 g/mol. Its IUPAC systematic name is azane;1-methyl-4-nitrobenzene;2-nitroaniline;3-nitroaniline. Topological Polar Surface Area 191.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 9 Rotatable Bonds 0 Exact Mass 430.1601 Heavy Atoms 31 Complexity 386.0 InChI Key: JPSBDEKDVCCMJP-UHFFFAOYSA-N. SMILES: CC1=CC=C(C=C1)[N+](=O)[O-].C1=CC=C(C(=C1)N)[N+](=O)[O-].C1=CC(=CC(=C1)[N+](=O)[O-])N.N.

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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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