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140456-78-6 molecular structure
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ammonium dinitroazanide

ChemBase ID: 125820
Molecular Formular: H4N4O4
Molecular Mass: 124.05616
Monoisotopic Mass: 124.02325463
SMILES and InChIs

SMILES:
[NH4+].[N-]([N+](=O)[O-])[N+](=O)[O-]
Canonical SMILES:
[O-][N+](=O)[N-][N+](=O)[O-].[NH4+]
InChI:
InChI=1S/N3O4.H3N/c4-2(5)1-3(6)7;/h;1H3/q-1;/p+1
InChIKey:
BRUFJXUJQKYQHA-UHFFFAOYSA-O

Cite this record

CBID:125820 http://www.chembase.cn/molecule-125820.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ammonium dinitroazanide
IUPAC Traditional name
ammonium dinitroazanide
Synonyms
Ammonium dinitramide
CAS Number
140456-78-6
PubChem SID
162220166
PubChem CID
10219428
Chemspider ID
8394920
Wikipedia Title
Ammonium_dinitramide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -0.84579366  H Acceptors
H Donor LogD (pH = 5.5) 0.8340298 
LogD (pH = 7.4) 0.8340299  Log P -0.07402773 
Molar Refractivity 18.3168 cm3 Polarizability 5.9593205 Å3
Polar Surface Area 100.87 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Melting Point
93°C expand Show data source
Boiling Point
decompose expand Show data source
Density
1.81 g/cm3 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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