| CAS Number | 1956341-96-0 |
| Catalog Number | AG00IMNV(AGN-PC-0WNGDJ) |
| Chemical Name | N-Benzyloxetan-3-amine oxalate |
| IUPAC Name | N-benzyloxetan-3-amine;oxalic acid |
| InChI | InChI=1S/C10H13NO.C2H2O4/c1-2-4-9(5-3-1)6-11-10-7-12-8-10;3-1(4)2(5)6/h1-5,10-11H,6-8H2;(H,3,4)(H,5,6) |
| InChI Key | FXVRJNNUVWIRMZ-UHFFFAOYSA-N |
| MDL Number | MFCD28401046 |
| Molecular Formula | C12H15NO5 |
| Molecular Weight | 253.2512 |
| SMILES | O=C(O)C(O)=O.C1(NCC2=CC=CC=C2)COC1 |
| Synonyms | N-Benzyloxetan-3-amine oxalate,
1956341-96-0,
KS-00000SU1,
MFCD28401046,
DS-8935,
AK165139,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.254g/mol |
| Monoisotopic Mass | 253.095g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 95.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number