| CAS Number | 1207175-55-0 |
| Catalog Number | AG008TFZ(AGN-PC-0WAD1K) |
| Chemical Name | Ethyl 2-(3-(benzylamino)oxetan-3-yl)acetate |
| IUPAC Name | ethyl 2-[3-(benzylamino)oxetan-3-yl]acetate |
| InChI | InChI=1S/C14H19NO3/c1-2-18-13(16)8-14(10-17-11-14)15-9-12-6-4-3-5-7-12/h3-7,15H,2,8-11H2,1H3 |
| InChI Key | UNDXXTHRTOJMJR-UHFFFAOYSA-N |
| MDL Number | MFCD14586439 |
| Molecular Formula | C14H19NO3 |
| Molecular Weight | 249.3056 |
| SMILES | CCOC(=O)CC1(COC1)NCC2=CC=CC=C2 |
| Synonyms | ETHYL 2-(3-(BENZYLAMINO)OXETAN-3-YL)ACETATE,
1207175-55-0,
DTXSID40745988,
CS-M1440,
3628AH,
MFCD14586439,
ZINC45028300,
AS-42387,
Ethyl [3-(benzylamino)-3-oxetanyl]acetate,
Ethyl [3-(benzylamino)oxetan-3-yl]acetate,
C14H19NO3,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.31g/mol |
| Monoisotopic Mass | 249.136g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number