| CAS Number | 887588-82-1 |
| Catalog Number | AG01DKWC(AGN-PC-0WD742) |
| Chemical Name | Tert-Butyl 2-Cyanoazetidine-1-Carboxylate |
| IUPAC Name | tert-butyl 2-cyanoazetidine-1-carboxylate |
| InChI | InChI=1S/C9H14N2O2/c1-9(2,3)13-8(12)11-5-4-7(11)6-10/h7H,4-5H2,1-3H3 |
| InChI Key | WUFVFANOTQZHBP-UHFFFAOYSA-N |
| MDL Number | MFCD07786950 |
| Molecular Formula | C9H14N2O2 |
| Molecular Weight | 182.2197 |
| SMILES | O=C(N1C(C#N)CC1)OC(C)(C)C |
| Synonyms | tert-butyl 2-cyanoazetidine-1-carboxylate,
887588-82-1,
(R)-tert-Butyl 2-cyanoazetidine-1-carboxylate,
(S)-tert-Butyl 2-cyanoazetidine-1-carboxylate,
tert-butyl (2R)-2-cyanoazetidine-1-carboxylate,
1932159-94-8,
SCHEMBL6166916,
ACN-048776,
SB15897,
tert-butyl2-cyanoazetidine-1-carboxylate,
DA-40800,
CS-0056675,
FT-0742104,
556835-05-3,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.223g/mol |
| Monoisotopic Mass | 182.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number