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22113-86-6 molecular structure
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ethanaminium; nitrooxidane

ChemBase ID: 127336
Molecular Formular: C2H8N2O3
Molecular Mass: 108.09652
Monoisotopic Mass: 108.05349213
SMILES and InChIs

SMILES:
CC[NH3+].[O-][N+](=O)[O-]
Canonical SMILES:
[O-][N+](=O)[O-].CC[NH3+]
InChI:
InChI=1S/C2H7N.NO3/c1-2-3;2-1(3)4/h2-3H2,1H3;/q;-1/p+1
InChIKey:
AHRQMWOXLCFNAV-UHFFFAOYSA-O

Cite this record

CBID:127336 http://www.chembase.cn/molecule-127336.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethanaminium; nitrooxidane
IUPAC Traditional name
ethylammonium nitronate
Synonyms
Ethylammonium nitrate
CAS Number
22113-86-6
PubChem SID
162221657
PubChem CID
6432248
Chemspider ID
4937507
Wikipedia Title
Ethylammonium_nitrate

DATA SOURCES

DATA SOURCES

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

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -1.3999903  H Acceptors
H Donor LogD (pH = 5.5) -2.3479722 
LogD (pH = 7.4) -2.3479848  Log P 0.028413763 
Molar Refractivity 9.8534 cm3 Polarizability 3.4222581 Å3
Polar Surface Area 68.88 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Apperance
Colorless liquid expand Show data source
Melting Point
12°C expand Show data source
Boiling Point
240°C expand Show data source
Density
1.261 g/ml expand Show data source
Heat Capacity
206 J K-1 mol-1 expand Show data source
Risk Statements
R36/37/38 expand Show data source
Safety Statements
S24/25 S37/39 expand Show data source
Main Hazard
Irritant 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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