| CAS Number | 1523606-46-3 |
| Catalog Number | AG00IKPR(AGN-PC-0WCXNL) |
| Chemical Name | 4-(Oxetan-3-yl)piperidine oxalate(2:1) |
| IUPAC Name | oxalic acid;4-(oxetan-3-yl)piperidine |
| InChI | InChI=1S/2C8H15NO.C2H2O4/c2*1-3-9-4-2-7(1)8-5-10-6-8;3-1(4)2(5)6/h2*7-9H,1-6H2;(H,3,4)(H,5,6) |
| InChI Key | QNRCCNUCCUODHO-UHFFFAOYSA-N |
| MDL Number | MFCD23105786 |
| Molecular Formula | C18H32N2O6 |
| Molecular Weight | 372.4565 |
| SMILES | O=C(O)C(O)=O.C1(C2COC2)CCNCC1.C3(C4COC4)CCNCC3 |
| Synonyms | 4-(Oxetan-3-yl)piperidine oxalate(2:1),
4-(Oxetan-3-yl)piperidine Hemioxalate,
1523606-46-3,
4-(Oxetan-3-yl)piperidine oxalate (2:1),
AKOS017344805,
SB20180,
AK173782,
AS-34472,
OR317045,
AB0094444,
CS-0051140,
ST24043120,
KS-00000709,
4-(oxetan-3-yl)piperidine,
1257294-01-1,
1394319-81-3,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 372.226g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 372.462g/mol |
| Monoisotopic Mass | 372.226g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number