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1000017-97-9 molecular structure
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ethyl 5-aminoimidazo[1,2-a]pyridine-2-carboxylate

ChemBase ID: 64957
Molecular Formular: C10H11N3O2
Molecular Mass: 205.21324
Monoisotopic Mass: 205.08512661
SMILES and InChIs

SMILES:
c1ccc2n(c1N)cc(n2)C(=O)OCC
Canonical SMILES:
CCOC(=O)c1cn2c(n1)cccc2N
InChI:
InChI=1S/C10H11N3O2/c1-2-15-10(14)7-6-13-8(11)4-3-5-9(13)12-7/h3-6H,2,11H2,1H3
InChIKey:
SDHJUHBOHSJBEH-UHFFFAOYSA-N

Cite this record

CBID:64957 http://www.chembase.cn/molecule-64957.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 5-aminoimidazo[1,2-a]pyridine-2-carboxylate
IUPAC Traditional name
ethyl 5-aminoimidazo[1,2-a]pyridine-2-carboxylate
Synonyms
Ethyl 5-amino-1H-imidazo[1,2-a]pyridine-2-carboxylate
Ethyl 5-aminoimidazo[1,2-a]pyridine-2-carboxylate hydrate
5-Aminoimidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester
Ethyl 5-aminoimidazo[1,2-a]pyridine-2-carboxylate
CAS Number
1000017-97-9
MDL Number
MFCD22989346
MFCD09842618
PubChem SID
162030696
PubChem CID
26369194

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.55063486  LogD (pH = 7.4) 0.56585205 
Log P 0.5660497  Molar Refractivity 56.292 cm3
Polarizability 20.727322 Å3 Polar Surface Area 69.62 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
216-218°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37-60 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501 expand Show data source
Purity
95% expand Show data source
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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