| CAS Number | 1638767-88-0 |
| Catalog Number | AG001UHS(AGN-PC-0WNH20) |
| Chemical Name | 5-azaspiro[2.3]hexane hemioxalate |
| IUPAC Name | 5-azaspiro[2.3]hexane;oxalic acid |
| InChI | InChI=1S/2C5H9N.C2H2O4/c2*1-2-5(1)3-6-4-5;3-1(4)2(5)6/h2*6H,1-4H2;(H,3,4)(H,5,6) |
| InChI Key | XLVQQCLHAATQTR-UHFFFAOYSA-N |
| MDL Number | MFCD27664868 |
| Molecular Formula | C12H20N2O4 |
| Molecular Weight | 256.2982 |
| SMILES | OC(C(O)=O)=O.C1C2(CNC2)C1.C1C2(CNC2)C1 |
| Synonyms | 5-azaspiro[2.3]hexane hemioxalate,
1638767-88-0,
KS-000007ZT,
MFCD27664868,
SB22945,
AS-53125,
OR312251,
CS-0050675,
5-Azaspiro[2.3]hexane, ethanedioate (2:1),
EN300-226548,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.302g/mol |
| Monoisotopic Mass | 256.142g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 98.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number