4-Amino-3,5-dinitropyridine - CAS 31793-29-0

Catalog:	BB021065
Product Name:	4-Amino-3,5-dinitropyridine
CAS:	31793-29-0
Synonyms:	3,5-dinitro-4-pyridinamine; 3,5-dinitropyridin-4-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	3,5-dinitropyridin-4-amine
Description:	4-Amino-3,5-dinitropyridine (CAS# 31793-29-0) is a useful research chemical, an explosive.
Molecular Weight:	184.11
Molecular Formula:	C5H4N4O4
Canonical SMILES:	C1=C(C(=C(C=N1)[N+](=O)[O-])N)[N+](=O)[O-]
InChI:	InChI=1S/C5H4N4O4/c6-5-3(8(10)11)1-7-2-4(5)9(12)13/h1-2H,(H2,6,7)
InChI Key:	IEUQRKITTGSLJL-UHFFFAOYSA-N
Boiling Point:	402.3 °C at 760 mmHg
Density:	1.694 g/cm³
Appearance:	Solid
MDL:	MFCD00160302
LogP:	2.10780

Publication Number	Title	Priority Date
WO-2021121420-A1	Benzopyrazole compound and intermediate, preparation method, and application thereof	20191220
CN-108727336-A	4- amino -3,5- the di nitryl pyridines and preparation method thereof of amino azoles substitution	20170418
CN-102174030-A	5-methyl-1,2,3-thiadiazole-4-formoxyl urea compounds, and preparation method and application thereof	20110324
CN-102174030-B	5-methyl-1,2,3-thiadiazole-4-formoxyl urea compounds, and preparation method and application thereof	20110324
PT-2130821-E	Derivatives of 3,4,5-trinitropyrazole, their preparation and the energetic compositions containing them	20080606

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Complexity:	200
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.02325462
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	184.02325462
Rotatable Bond Count:	0
Topological Polar Surface Area:	131
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4