| CAS Number | 630121-93-6 |
| Catalog Number | AG019EUD(AGN-PC-0WG48I) |
| Chemical Name | tert-Butyl 3-(thiophen-2-yl)pyrrolidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-thiophen-2-ylpyrrolidine-1-carboxylate |
| InChI | InChI=1S/C13H19NO2S/c1-13(2,3)16-12(15)14-7-6-10(9-14)11-5-4-8-17-11/h4-5,8,10H,6-7,9H2,1-3H3 |
| InChI Key | DLZXODFTSZFPID-UHFFFAOYSA-N |
| MDL Number | MFCD24467030 |
| Molecular Formula | C13H19NO2S |
| Molecular Weight | 253.3605 |
| SMILES | S1C(=CC=C1)C1CN(CC1)C(=O)OC(C)(C)C |
| Synonyms | 630121-93-6,
tert-Butyl 3-(thiophen-2-yl)pyrrolidine-1-carboxylate,
tert-butyl 3-thiophen-2-ylpyrrolidine-1-carboxylate,
SCHEMBL3649642,
DLZXODFTSZFPID-UHFFFAOYSA-N,
MFCD24467030,
AKOS027256011,
FCH1660163,
TZ000833,
CS-0037816,
t-Butyl 3-(thiophen-2-yl)pyrrolidine-1-carboxylate,
3-thiophen-2-yl-pyrrolidine-1-carboxylic acid tert-butyl ester,
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| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.36g/mol |
| Monoisotopic Mass | 253.114g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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