| CAS Number | 1158758-79-2 |
| Catalog Number | AG000H12(AGN-PC-0WBRHJ) |
| Chemical Name | 1-Azetidinecarboxylic acid, 3-amino-3-ethyl-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 3-amino-3-ethylazetidine-1-carboxylate |
| InChI | InChI=1S/C10H20N2O2/c1-5-10(11)6-12(7-10)8(13)14-9(2,3)4/h5-7,11H2,1-4H3 |
| InChI Key | JPYCVKPRVHXSNZ-UHFFFAOYSA-N |
| MDL Number | MFCD12408557 |
| Molecular Formula | C10H20N2O2 |
| Molecular Weight | 200.2780 |
| SMILES | O=C(N1CC(CC)(N)C1)OC(C)(C)C |
| Synonyms | 1158758-79-2,
TERT-BUTYL 3-AMINO-3-ETHYLAZETIDINE-1-CARBOXYLATE,
1-BOC-3-AMINO-3-ETHYLAZETIDINE,
1-Boc-3-amino-3-ethyl-azetidine,
MFCD12408557,
ZINC84192307,
AKOS015158001,
PB34718,
AK172235,
AS-46535,
ST1251311,
CS-0048321,
Q-3161,
1-Azetidinecarboxylic acid, 3-amino-3-ethyl-, 1,1-dimethylethyl ester,
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| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.282g/mol |
| Monoisotopic Mass | 200.152g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number