| CAS Number | 623588-30-7 |
| Catalog Number | AG00EE7H(AGN-PC-0T42KZ) |
| Chemical Name | tert-Butyl 4-(5-formylthiophen-2-yl)piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(5-formylthiophen-2-yl)piperazine-1-carboxylate |
| InChI | InChI=1S/C14H20N2O3S/c1-14(2,3)19-13(18)16-8-6-15(7-9-16)12-5-4-11(10-17)20-12/h4-5,10H,6-9H2,1-3H3 |
| InChI Key | OHGKLOGHIWWLSX-UHFFFAOYSA-N |
| MDL Number | MFCD09055398 |
| Molecular Formula | C14H20N2O3S |
| Molecular Weight | 296.3852 |
| SMILES | C1(=CC=C(C=O)S1)N1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | 623588-30-7,
tert-Butyl 4-(5-formyl-2-thienyl)piperazine-1-carboxylate,
tert-butyl 4-(5-formylthiophen-2-yl)piperazine-1-carboxylate,
SCHEMBL65161,
CTK5B4953,
DTXSID10651047,
OHGKLOGHIWWLSX-UHFFFAOYSA-N,
MFCD09055398,
ZINC19093571,
AKOS027276189,
Y-5212,
t-butyl 4-(5-formylthien-2-yl)piperazine-1-carboxylate,
tert-Butyl 4-(5-formyl-2-thienyl)-1-piperazinecarboxylate,
tert-butyl 4-(5-formylthien-2-yl)piperazine-1-carboxylate,
tert-Butyl 4-(5-formyl-2-thienyl)piperazine-1-carboxylate, AldrichCPR,
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| Complexity | 362 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.385g/mol |
| Monoisotopic Mass | 296.119g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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