| CAS Number | 1393441-91-2 |
| Catalog Number | AG009WR5(AGN-PC-0WAF6L) |
| Chemical Name | tert-Butyl 3-(2-aminophenoxymethyl)azetidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-[(2-aminophenoxy)methyl]azetidine-1-carboxylate |
| InChI | InChI=1S/C15H22N2O3/c1-15(2,3)20-14(18)17-8-11(9-17)10-19-13-7-5-4-6-12(13)16/h4-7,11H,8-10,16H2,1-3H3 |
| InChI Key | JIXNRXHYSFFQSZ-UHFFFAOYSA-N |
| MDL Number | MFCD22383786 |
| Molecular Formula | C15H22N2O3 |
| Molecular Weight | 278.3468 |
| SMILES | O=C(N1CC(C1)COc1ccccc1N)OC(C)(C)C |
| Synonyms | 1393441-91-2,
TERT-BUTYL 3-(2-AMINOPHENOXYMETHYL)AZETIDINE-1-CARBOXYLATE,
tert-Butyl 3-((2-aminophenoxy)methyl)azetidine-1-carboxylate,
KM5579,
ZINC95496020,
V2920,
C15H22N2O3,
|
| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.352g/mol |
| Monoisotopic Mass | 278.163g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 64.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number