| CAS Number | 1434141-96-4 |
| Catalog Number | AG00HWWU(AGN-PC-0WCJAZ) |
| Chemical Name | cis-8-(benzylamino)hexahydro-oxazolo[3,4-a]pyridin-3-one |
| IUPAC Name | (8R,8aR)-8-(benzylamino)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one |
| InChI | InChI=1S/C14H18N2O2/c17-14-16-8-4-7-12(13(16)10-18-14)15-9-11-5-2-1-3-6-11/h1-3,5-6,12-13,15H,4,7-10H2/t12-,13+/m1/s1 |
| InChI Key | JXMGZQLHAJPGBK-OLZOCXBDSA-N |
| MDL Number | MFCD27956907 |
| Molecular Formula | C14H18N2O2 |
| Molecular Weight | 246.3049 |
| SMILES | O=C1OC[C@@H]2[C@H](NCc3ccccc3)CCCN12 |
| Synonyms | cis-8-(benzylamino)hexahydro-oxazolo[3,4-a]pyridin-3-one,
1434141-96-4,
cis-8-(Benzylamino)tetrahydro-1H-oxazolo[3,4-a]pyridin-3(5H)-one,
(8R,8AR)-8-(benzylamino)tetrahydro-1H-oxazolo[3,4-a]pyridin-3(5H)-one,
1932487-17-6,
ZINC97757497,
FCH3951845,
SB11068,
AK170876,
AS-52810,
N/A,
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| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.136828g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.3g/mol |
| Monoisotopic Mass | 246.136828g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number