| CAS Number | 206446-39-1 |
| Catalog Number | AG00BJZ1(AGN-PC-0NL0UF) |
| Chemical Name | 1,1-Dimethylethyl 3-(2-pyridinyl)-1-azetidinecarboxylate |
| IUPAC Name | tert-butyl 3-pyridin-2-ylazetidine-1-carboxylate |
| InChI | InChI=1S/C13H18N2O2/c1-13(2,3)17-12(16)15-8-10(9-15)11-6-4-5-7-14-11/h4-7,10H,8-9H2,1-3H3 |
| InChI Key | WOZILFWABRXAFR-UHFFFAOYSA-N |
| MDL Number | MFCD20528714 |
| Molecular Formula | C13H18N2O2 |
| Molecular Weight | 234.2942 |
| SMILES | CC(C)(C)OC(=O)N1CC(C1)C1=NC=CC=C1 |
| Synonyms | tert-butyl 3-(pyridin-2-yl)azetidine-1-carboxylate,
206446-39-1,
3-Pyridin-2-yl-azetidine-1-carboxylic acid tert-butyl ester,
SCHEMBL2998444,
WOZILFWABRXAFR-UHFFFAOYSA-N,
MFCD20528714,
ZINC91353130,
AKOS027338169,
RL02555,
AS-48597,
tert-butyl 3-pyridin-2-ylazetidine-1-carboxylate,
J-524503,
3-(2-Pyridinyl)-1-azetidinecarboxylic acid tert-butyl ester,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.299g/mol |
| Monoisotopic Mass | 234.137g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number