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617-36-7 molecular structure
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ethyl carbamoylformate

ChemBase ID: 102672
Molecular Formular: C4H7NO3
Molecular Mass: 117.10328
Monoisotopic Mass: 117.04259309
SMILES and InChIs

SMILES:
CCOC(=O)C(=O)N
Canonical SMILES:
CCOC(=O)C(=O)N
InChI:
InChI=1S/C4H7NO3/c1-2-8-4(7)3(5)6/h2H2,1H3,(H2,5,6)
InChIKey:
RZMZBHSKPLVQCP-UHFFFAOYSA-N

Cite this record

CBID:102672 http://www.chembase.cn/molecule-102672.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl carbamoylformate
IUPAC Traditional name
ethyl carbamoylformate
Synonyms
ethyl 2-amino-2-oxoacetate
Ethyl oxamate
OXAMIC ACID ETHYL ESTER
Ethyl oxamate
草氨酸乙酯
CAS Number
617-36-7
EC Number
210-512-8
MDL Number
MFCD00008005
Beilstein Number
506728
PubChem SID
162090314
24886880
24894550
PubChem CID
69238

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.406755  H Acceptors
H Donor LogD (pH = 5.5) -0.3346588 
LogD (pH = 7.4) -0.33465502  Log P -0.33465883 
Molar Refractivity 25.7785 cm3 Polarizability 10.216584 Å3
Polar Surface Area 69.39 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
113-116 °C expand Show data source
113-116 °C(lit.) expand Show data source
Storage Condition
0°C expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥99.0% (N) expand Show data source
95+% expand Show data source
98% expand Show data source
Grade
puriss. expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
NH2COCOOC2H5 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
Sigma Aldrich - E43209 external link
Packaging
10, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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