| CAS Number | 1391077-73-8 |
| Catalog Number | AG001AA4(AGN-PC-0WBRK0) |
| Chemical Name | 1-tert-butyl 2-ethyl 2-methylazetidine-1,2-dicarboxylate |
| IUPAC Name | 1-O-tert-butyl 2-O-ethyl 2-methylazetidine-1,2-dicarboxylate |
| InChI | InChI=1S/C12H21NO4/c1-6-16-9(14)12(5)7-8-13(12)10(15)17-11(2,3)4/h6-8H2,1-5H3 |
| InChI Key | SGPDJLPHUZYXCT-UHFFFAOYSA-N |
| MDL Number | MFCD24387386 |
| Molecular Formula | C12H21NO4 |
| Molecular Weight | 243.2994 |
| SMILES | CCOC(=O)C1(C)CCN1C(=O)OC(C)(C)C |
| Synonyms | 1-tert-butyl 2-ethyl 2-methylazetidine-1,2-dicarboxylate,
1391077-73-8,
SCHEMBL11319816,
SGPDJLPHUZYXCT-UHFFFAOYSA-N,
MFCD24387386,
AKOS027338396,
SB22149,
KS-000006C8,
AS-52542,
CS-0052401,
FT-0756602,
2-methyl-azetidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-ethyl ester,
1,2-Azetidinedicarboxylic acid, 2-methyl-, 1-(1,1-dimethylethyl) 2-ethyl ester,
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| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.303g/mol |
| Monoisotopic Mass | 243.147g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number