Nitralin

CAS Registry Number®

4726-14-1
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CAS Name

Nitralin

Molecular Formula

C13H19N3O6S

Molecular Mass

345.37

Cite this Page

Nitralin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=4726-14-1 (retrieved 2024-04-25) (CAS RN: 4726-14-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    151-152 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C13H19N3O6S/c1-4-6-14(7-5-2)13-11(15(17)18)8-10(23(3,21)22)9-12(13)16(19)20/h8-9H,4-7H2,1-3H3

InChIKey

InChIKey=UMKANAFDOQQUKE-UHFFFAOYSA-N

SMILES

N(CCC)(CCC)C1=C(N(=O)=O)C=C(S(C)(=O)=O)C=C1N(=O)=O

Canonical SMILES

O=N(=O)C=1C=C(C=C(C1N(CCC)CCC)N(=O)=O)S(=O)(=O)C

Other Names for this Substance

  • Benzenamine, 4-(methylsulfonyl)-2,6-dinitro-N,N-dipropyl-
  • Aniline, 4-(methylsulfonyl)-2,6-dinitro-N,N-dipropyl-
  • 4-(Methylsulfonyl)-2,6-dinitro-N,N-dipropylbenzenamine
  • Nitralin
  • Planuin

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