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74386-82-6 molecular structure
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2-(nitroamino)ethan-1-ol

ChemBase ID: 175185
Molecular Formular: C2H6N2O3
Molecular Mass: 106.08064
Monoisotopic Mass: 106.03784206
SMILES and InChIs

SMILES:
OCCN[N+](=O)[O-]
Canonical SMILES:
[O-][N+](=O)NCCO
InChI:
InChI=1S/C2H6N2O3/c5-2-1-3-4(6)7/h3,5H,1-2H2
InChIKey:
LATUZCZOMGJGGZ-UHFFFAOYSA-N

Cite this record

CBID:175185 http://www.chembase.cn/molecule-175185.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(nitroamino)ethan-1-ol
IUPAC Traditional name
2-(nitroamino)ethanol
Synonyms
2-(Nitroamino)ethanol
CAS Number
74386-82-6
PubChem SID
164231095
PubChem CID
17879829

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC N491750 external link Add to cart
PubChem 17879829 external link
Data Source Data ID Price
TRC
N491750 external link Add to cart Please log in.
Data Source Data ID
PubChem 17879829 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.161866  H Acceptors
H Donor LogD (pH = 5.5) -1.0128889 
LogD (pH = 7.4) -1.0129547  Log P -1.0128881 
Molar Refractivity 23.1974 cm3 Polarizability 8.260609 Å3
Polar Surface Area 78.08 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Methanol expand Show data source
Apperance
White Solid expand Show data source
Melting Point
37-39°C expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - N491750 external link
Used in the preparation of N-alkylnitratoethyl nitramines as energetic plasticizers for explosives and propellants.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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