| CAS Number | 1493605-67-6 |
| Catalog Number | AG01DVE2 |
| Chemical Name | 1-[3-(Aminomethyl)azetidin-1-yl]ethan-1-one |
| IUPAC Name | 1-[3-(aminomethyl)azetidin-1-yl]ethanone |
| InChI | InChI=1S/C6H12N2O/c1-5(9)8-3-6(2-7)4-8/h6H,2-4,7H2,1H3 |
| InChI Key | YUTLQJWEGKHPKK-UHFFFAOYSA-N |
| MDL Number | MFCD16620214 |
| Molecular Formula | C6H12N2O |
| Molecular Weight | 128.1723 |
| SMILES | CC(N1CC(CN)C1)=O |
| Synonyms | 1-[3-(aminomethyl)azetidin-1-yl]ethan-1-one,
1493605-67-6,
SCHEMBL15244579,
ZINC83141958,
AKOS014320219,
1-(3-(AMINOMETHYL)AZETIDIN-1-YL)ETHANONE,
|
| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 128.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 128.175g/mol |
| Monoisotopic Mass | 128.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.2 |
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Certificate of Analysis
Lot Number