4-(Aminomethyl)-3-nitrobenzoic acid

CAS Registry Number®

2372-51-2
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CAS Name

4-(Aminomethyl)-3-nitrobenzoic acid

Molecular Formula

C8H8N2O4

Molecular Mass

196.16

Cite this Page

4-(Aminomethyl)-3-nitrobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2372-51-2 (retrieved 2024-08-15) (CAS RN: 2372-51-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    248-250 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H8N2O4/c9-4-6-2-1-5(8(11)12)3-7(6)10(13)14/h1-3H,4,9H2,(H,11,12)

InChIKey

InChIKey=KRTYNVCBQRWNMK-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=C(CN)C=CC(C(O)=O)=C1

Canonical SMILES

O=C(O)C1=CC=C(C(=C1)N(=O)=O)CN

Other Names for this Substance

  • Benzoic acid, 4-(aminomethyl)-3-nitro-
  • p-Toluic acid, α-amino-3-nitro-
  • 4-(Aminomethyl)-3-nitrobenzoic acid
  • 3-Nitro-4-aminomethylbenzoic acid