Nitralin
CAS Registry Number®
4726-14-1
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CAS Name
NitralinMolecular Formula
C13H19N3O6SMolecular Mass
345.37Cite this Page
Nitralin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=4726-14-1 (retrieved ) (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