| CAS Number | 1330763-29-5 |
| Catalog Number | AG00HSQZ(AGN-PC-0WG3Q1) |
| Chemical Name | 3-(2-Amino-Ethyl)-3-Hydroxy-Azetidine-1-Carboxylic Acid Tert-Butyl Ester |
| IUPAC Name | tert-butyl 3-(2-aminoethyl)-3-hydroxyazetidine-1-carboxylate |
| InChI | InChI=1S/C10H20N2O3/c1-9(2,3)15-8(13)12-6-10(14,7-12)4-5-11/h14H,4-7,11H2,1-3H3 |
| InChI Key | QSXRCDIVJJJTIH-UHFFFAOYSA-N |
| MDL Number | MFCD20230540 |
| Molecular Formula | C10H20N2O3 |
| Molecular Weight | 216.2774 |
| SMILES | NCCC1(O)CN(C1)C(=O)OC(C)(C)C |
| Synonyms | 1330763-29-5,
3-(2-AMINO-ETHYL)-3-HYDROXY-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER,
tert-Butyl 3-(2-aminoethyl)-3-hydroxyazetidine-1-carboxylate,
MFCD20230540,
ZINC85452430,
AKOS017581155,
AM805872,
AS-39757,
CS-0036434,
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| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.281g/mol |
| Monoisotopic Mass | 216.147g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
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