Dipropalin
PubChem CID
15966
Structure
Molecular Formula
Synonyms
- DIPROPALIN
- 1918-08-7
- Caswell No. 391C
- 2,6-Dinitro-N,N-dipropyl-p-toluidine
- 4-methyl-2,6-dinitro-N,N-dipropylaniline
Molecular Weight
281.31 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2005-08-08
- Modify:2025-01-04
Chemical Structure Depiction
4-methyl-2,6-dinitro-N,N-dipropylaniline
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C13H19N3O4/c1-4-6-14(7-5-2)13-11(15(17)18)8-10(3)9-12(13)16(19)20/h8-9H,4-7H2,1-3H3
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
UDVZOMAEGATTSE-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C)[N+](=O)[O-]
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C13H19N3O4
Computed by PubChem 2.2 (PubChem release 2024.11.20)
- DIPROPALIN
- 1918-08-7
- Caswell No. 391C
- 2,6-Dinitro-N,N-dipropyl-p-toluidine
- 4-methyl-2,6-dinitro-N,N-dipropylaniline
- DIPROPALIN [MI]
- EPA Pesticide Chemical Code 391400
- Benzenamine, 4-methyl-2,6-dinitro-N,N-dipropyl-
- N,N-Dipropyl-2,6-dinitro-p-toluidine
- BRN 2816199
- p-Toluidine, 2,6-dinitro-N,N-dipropyl-
- 2,6-Dinitro-N,N-di-n-propyl-p-toluidine
- 389074G62J
- DTXSID1041895
- N,N-Di-n-propyl-2,6-dinitro-4-methylaniline
- UNII-389074G62J
- 3,5-DINITRO-4-DIPROPYLAMINOTOLUENE
- 2,6-DINITRO-N,N-DIPROPYL-4-METHYLANILINE
- L-35355
- N,N-DIPROPYL-2,6-DINITRO-4-METHYLANILINE
- 1-12-00-00443 (Beilstein Handbook Reference)
- 4-METHYL-2,6-DINITRO-N,N-DIPROPYLBENZENAMINE
- SCHEMBL1876519
- DTXCID9021895
- UDVZOMAEGATTSE-UHFFFAOYSA-N
- NS00125608
- N,N-di(n-propyl)-2,6-dinitro-4-methylaniline
- Q27256766
- Benzenamine, 4-methyl-2,6-dinitro-N,N-dipropyl-(9CI)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
281.31 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3
Property Value
4.8
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
281.13755610 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
281.13755610 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
94.9 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
20
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
309
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
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Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=UDVZOMAEGATTSE-UHFFFAOYSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxCompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linking
- Japan Chemical Substance Dictionary (Nikkaji)
- Metabolomics Workbench
- Springer Nature
- Wikidatadipropalinhttps://www.wikidata.org/wiki/Q27256766
- WikipediaDipropalinhttps://en.wikipedia.org/wiki/Dipropalin
- PubChem
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- EPA Substance Registry ServicesEPA SRS List Classificationhttps://sor.epa.gov/sor_internet/registry/substreg/LandingPage.do
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 403403615https://pubchem.ncbi.nlm.nih.gov/substance/403403615
CONTENTS