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10489-74-4 molecular structure
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ethyl (N'-hydroxycarbamimidoyl)formate

ChemBase ID: 139540
Molecular Formular: C4H8N2O3
Molecular Mass: 132.11792
Monoisotopic Mass: 132.05349213
SMILES and InChIs

SMILES:
CCOC(=O)/C(=N/O)/N
Canonical SMILES:
CCOC(=O)/C(=N/O)/N
InChI:
InChI=1S/C4H8N2O3/c1-2-9-4(7)3(5)6-8/h8H,2H2,1H3,(H2,5,6)
InChIKey:
QGYKRMZPOOILBA-UHFFFAOYSA-N

Cite this record

CBID:139540 http://www.chembase.cn/molecule-139540.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl (N'-hydroxycarbamimidoyl)formate
IUPAC Traditional name
ethyl (N'-hydroxycarbamimidoyl)formate
Synonyms
ethyl (N'-hydroxycarbamimidoyl)formate
Amino-hydroxyimino-acetic acid ethyl ester
Ethyl 2-oximinooxamate
2-肟基草氨酸乙酯
CAS Number
10489-74-4
MDL Number
MFCD03013442
PubChem SID
24873919
162233788
PubChem CID
9614369

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 9614369 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.4138527  H Acceptors
H Donor LogD (pH = 5.5) -0.27325886 
LogD (pH = 7.4) -0.56040925  Log P -0.26801237 
Molar Refractivity 29.7223 cm3 Polarizability 11.577529 Å3
Polar Surface Area 84.91 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
94 - 96°C expand Show data source
99-103 °C(lit.) expand Show data source
Hydrophobicity(logP)
0.118 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95% expand Show data source
97% expand Show data source
Linear Formula
HONHC(NH)CO2C2H5 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 519588 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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