| CAS Number | 898271-45-9 |
| Catalog Number | AG01DWSZ |
| Chemical Name | tert-butyl N-[1-(pyridin-2-yl)azetidin-3-yl]carbamate |
| IUPAC Name | tert-butyl N-(1-pyridin-2-ylazetidin-3-yl)carbamate |
| InChI | InChI=1S/C13H19N3O2/c1-13(2,3)18-12(17)15-10-8-16(9-10)11-6-4-5-7-14-11/h4-7,10H,8-9H2,1-3H3,(H,15,17) |
| InChI Key | DJXNRCWSAHCRKC-UHFFFAOYSA-N |
| MDL Number | MFCD21602227 |
| Molecular Formula | C13H19N3O2 |
| Molecular Weight | 249.3089 |
| SMILES | CC(OC(NC1CN(C2=NC=CC=C2)C1)=O)(C)C |
| Synonyms | 898271-45-9,
tert-Butyl N-[1-(pyridin-2-yl)azetidin-3-yl]-carbamate,
tert-Butyl (1-(pyridin-2-yl)azetidin-3-yl)carbamate,
TERT-BUTYL N-[1-(PYRIDIN-2-YL)AZETIDIN-3-YL]CARBAMATE,
DJXNRCWSAHCRKC-UHFFFAOYSA-N,
ZX-RL005640,
ZINC79387657,
AKOS027386552,
FCH1631245,
KS-7225,
OR306386,
tert-Butyl (1-pyridin-2-ylazetidin-3-yl)carbamate,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.314g/mol |
| Monoisotopic Mass | 249.148g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number