| CAS Number | 1820647-54-8 |
| Catalog Number | AG0023BF(AGN-PC-0WCYR9) |
| Chemical Name | 1-tert-Butyl 6-ethyl 2,3-dihydro-1H-imidazo[1,2-b]pyrazole-1,6-dicarboxylate |
| IUPAC Name | 1-O-tert-butyl 6-O-ethyl 2,3-dihydroimidazo[1,2-b]pyrazole-1,6-dicarboxylate |
| InChI | InChI=1S/C13H19N3O4/c1-5-19-11(17)9-8-10-15(6-7-16(10)14-9)12(18)20-13(2,3)4/h8H,5-7H2,1-4H3 |
| InChI Key | GKRDRKRLEUQWGO-UHFFFAOYSA-N |
| MDL Number | MFCD27922161 |
| Molecular Formula | C13H19N3O4 |
| Molecular Weight | 281.3077 |
| SMILES | O=C(N1CCN2N=C(C(OCC)=O)C=C21)OC(C)(C)C |
| Synonyms | 1-TERT-BUTYL 6-ETHYL 2,3-DIHYDRO-1H-IMIDAZO[1,2-B]PYRAZOLE-1,6-DICARBOXYLATE,
1820647-54-8,
MFCD27922161,
ZINC96029103,
AK333399,
AS-42470,
AX8267096,
X-3434,
1H-Imidazo[1,2-b]pyrazole-1,6-dicarboxylic acid, 2,3-dihydro-, 1-(1,1-dimethylethyl) 6-ethyl ester,
|
| Complexity | 394 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.312g/mol |
| Monoisotopic Mass | 281.138g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 73.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H320-H335
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Packing Group
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Precautionary statements
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P261-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number