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3693-53-6 molecular structure
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ethyl N-{[(ethoxycarbonyl)amino]methyl}carbamate

ChemBase ID: 301846
Molecular Formular: C7H14N2O4
Molecular Mass: 190.19706
Monoisotopic Mass: 190.09535694
SMILES and InChIs

SMILES:
CCOC(=O)NCNC(=O)OCC
Canonical SMILES:
CCOC(=O)NCNC(=O)OCC
InChI:
InChI=1S/C7H14N2O4/c1-3-12-6(10)8-5-9-7(11)13-4-2/h3-5H2,1-2H3,(H,8,10)(H,9,11)
InChIKey:
QSPOJWMZYOMAEI-UHFFFAOYSA-N

Cite this record

CBID:301846 http://www.chembase.cn/molecule-301846.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl N-{[(ethoxycarbonyl)amino]methyl}carbamate
IUPAC Traditional name
ethyl N-{[(ethoxycarbonyl)amino]methyl}carbamate
Synonyms
Methylene diurethane
亚甲基二氨基甲酸乙酯
CAS Number
3693-53-6
EC Number
223-011-4
MDL Number
MFCD00015147
Beilstein Number
1812852

DATA SOURCES

DATA SOURCES

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Data Source Data ID
Alfa Aesar L00318 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.337398  H Acceptors
H Donor LogD (pH = 5.5) 0.27754965 
LogD (pH = 7.4) 0.2775492  Log P 0.27754965 
Molar Refractivity 44.3101 cm3 Polarizability 17.581894 Å3
Polar Surface Area 76.66 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
128-132°C expand Show data source
RTECS
FC2200000 expand Show data source
TSCA Listed
expand Show data source
Purity
98+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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  • • Behaves in cycloaddition reactions as the reactive azadienophile methylene urethane: Angew. Chem., 74, 866 (1962); Chem. Ind. (London), 1422 (1964):
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PATENTS

PATENTS

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INTERNET

INTERNET

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