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66787-70-0 molecular structure
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ethyl 1-methyl-1H-imidazole-5-carboxylate

ChemBase ID: 811354
Molecular Formular: C7H10N2O2
Molecular Mass: 154.1665
Monoisotopic Mass: 154.07422757
SMILES and InChIs

SMILES:
n1(cncc1C(=O)OCC)C
Canonical SMILES:
CCOC(=O)c1cncn1C
InChI:
InChI=1S/C7H10N2O2/c1-3-11-7(10)6-4-8-5-9(6)2/h4-5H,3H2,1-2H3
InChIKey:
AIPYAGWNEMVIJQ-UHFFFAOYSA-N

Cite this record

CBID:811354 http://www.chembase.cn/molecule-811354.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 1-methyl-1H-imidazole-5-carboxylate
IUPAC Traditional name
ethyl 3-methylimidazole-4-carboxylate
Synonyms
ETHYL 1-METHYLIMIDAZOLE-5-CARBOXYLATE
CAS Number
66787-70-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O30670 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O30670 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.3174105  LogD (pH = 7.4) 0.35817316 
Log P 0.35873792  Molar Refractivity 40.5609 cm3
Polarizability 15.217596 Å3 Polar Surface Area 44.12 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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