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623-78-9 molecular structure
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ethyl N-ethylcarbamate

ChemBase ID: 107882
Molecular Formular: C5H11NO2
Molecular Mass: 117.14634
Monoisotopic Mass: 117.0789786
SMILES and InChIs

SMILES:
CCNC(=O)OCC
Canonical SMILES:
CCNC(=O)OCC
InChI:
InChI=1S/C5H11NO2/c1-3-6-5(7)8-4-2/h3-4H2,1-2H3,(H,6,7)
InChIKey:
GZXSDYYWLZERLF-UHFFFAOYSA-N

Cite this record

CBID:107882 http://www.chembase.cn/molecule-107882.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl N-ethylcarbamate
IUPAC Traditional name
ethyl ethylcarbamate
Synonyms
Ethyl N-ethylcarbamate
N-Ethylurethane
N-ETHYLURETHANE
乙基-N-氨基羧酸酯
N-乙基尿烷
CAS Number
623-78-9
EC Number
210-812-9
MDL Number
MFCD00009102
PubChem SID
24894601
162090123
PubChem CID
12195

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12195 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.236189  H Acceptors
H Donor LogD (pH = 5.5) 0.52629477 
LogD (pH = 7.4) 0.52629477  Log P 0.52629477 
Molar Refractivity 30.4834 cm3 Polarizability 11.874916 Å3
Polar Surface Area 38.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
85 °C/20 mmHg(lit.) expand Show data source
Flash Point
168 °F expand Show data source
76 °C expand Show data source
Density
0.981 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.421(lit.) expand Show data source
RTECS
FA9100000 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Purity
99% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
C2H5NHCO2C2H5 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05205308 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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