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80789-79-3 molecular structure
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ammonium disodium azaniumylpentacyanoironbis(ylium) pentahydrate

ChemBase ID: 107242
Molecular Formular: C5H17FeN7Na2O5++++++
Molecular Mass: 357.05692
Monoisotopic Mass: 357.04359274
SMILES and InChIs

SMILES:
[NH4+].O.O.O.O.O.[Na+].[Na+].[NH3+][Fe+2](C#N)(C#N)(C#N)(C#N)C#N
Canonical SMILES:
N#C[Fe+2](C#N)(C#N)(C#N)(C#N)[NH3+].[NH4+].O.O.O.O.O.[Na+].[Na+]
InChI:
InChI=1S/5CN.Fe.2H3N.2Na.5H2O/c5*1-2;;;;;;;;;;/h;;;;;;2*1H3;;;5*1H2/q;;;;;+3;;;2*+1;;;;;/p+1
InChIKey:
AWAIZGNICQYYEX-UHFFFAOYSA-O

Cite this record

CBID:107242 http://www.chembase.cn/molecule-107242.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ammonium disodium azaniumylpentacyanoironbis(ylium) pentahydrate
IUPAC Traditional name
ammonium dipotassium aminiopentacyanoironbis(ylium) pentahydrate
Synonyms
SODIUM PENTACYANOAMMINE FERROATE
CAS Number
80789-79-3
PubChem SID
162093480
PubChem CID
25022167

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05203025 external link Add to cart Please log in.
Data Source Data ID
PubChem 25022167 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.4883002  LogD (pH = 7.4) -0.4883 
Log P -0.4883  Molar Refractivity 48.7929 cm3
Polarizability 15.458659 Å3 Polar Surface Area 146.59 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
300°C expand Show data source
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05203025 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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