| CAS Number | 1443979-76-7 |
| Catalog Number | AG01A57A(AGN-PC-0WOQG4) |
| Chemical Name | benzyl azetidine-3-carboxylate hydrochloride |
| IUPAC Name | benzyl azetidine-3-carboxylate;hydrochloride |
| InChI | InChI=1S/C11H13NO2.ClH/c13-11(10-6-12-7-10)14-8-9-4-2-1-3-5-9;/h1-5,10,12H,6-8H2;1H |
| InChI Key | DFAUYTXJVMVKAQ-UHFFFAOYSA-N |
| MDL Number | MFCD20528804 |
| Molecular Formula | C11H14ClNO2 |
| Molecular Weight | 227.6874 |
| SMILES | Cl.O=C(C1CNC1)OCC1=CC=CC=C1 |
| Synonyms | benzyl azetidine-3-carboxylate hydrochloride,
1443979-76-7,
AKOS026741020,
NE52580,
405513-07-7,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.688g/mol |
| Monoisotopic Mass | 227.071g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number