| CAS Number | 1158770-65-0 |
| Catalog Number | AG00J3CJ(AGN-PC-0WB7GL) |
| Chemical Name | (2-Furylmethyl)(2-pyridinylmethyl)amine oxalate |
| IUPAC Name | N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine;oxalic acid |
| InChI | InChI=1S/C11H12N2O.C2H2O4/c1-2-6-13-10(4-1)8-12-9-11-5-3-7-14-11;3-1(4)2(5)6/h1-7,12H,8-9H2;(H,3,4)(H,5,6) |
| InChI Key | WNBBDJVJTLFBBN-UHFFFAOYSA-N |
| MDL Number | MFCD05656927 |
| Molecular Formula | C13H14N2O5 |
| Molecular Weight | 278.2607 |
| SMILES | C(O)(=O)C(O)=O.C1(CNCC2=CC=CC=N2)=CC=CO1 |
| Synonyms | 1158770-65-0,
(2-Furylmethyl)(2-pyridinylmethyl)amine oxalate,
1-(Furan-2-yl)-N-(pyridin-2-ylmethyl)methanamine oxalate,
ZX-CM014389,
MFCD05656927,
AKOS003334887,
4101656-25G,
4101656-50G,
4101656-100G,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.264g/mol |
| Monoisotopic Mass | 278.09g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 113A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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