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3871-28-1 molecular structure
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ethyl N-methoxycarbamate

ChemBase ID: 41339
Molecular Formular: C4H9NO3
Molecular Mass: 119.11916
Monoisotopic Mass: 119.05824315
SMILES and InChIs

SMILES:
C(=O)(NOC)OCC
Canonical SMILES:
CONC(=O)OCC
InChI:
InChI=1S/C4H9NO3/c1-3-8-4(6)5-7-2/h3H2,1-2H3,(H,5,6)
InChIKey:
YBURKGRQNJPCSW-UHFFFAOYSA-N

Cite this record

CBID:41339 http://www.chembase.cn/molecule-41339.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl N-methoxycarbamate
IUPAC Traditional name
ethyl N-methoxycarbamate
Synonyms
Ethyl N-methoxycarbamate
CAS Number
3871-28-1
MDL Number
MFCD00624200
PubChem SID
162046102
PubChem CID
533694

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 533694 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.433875  H Acceptors
H Donor LogD (pH = 5.5) 0.32014194 
LogD (pH = 7.4) 0.28672674  Log P 0.32058975 
Molar Refractivity 27.085 cm3 Polarizability 10.810944 Å3
Polar Surface Area 47.56 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
50 °C @ 0.5mm Hg expand Show data source
50°C/0.5mm expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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