| CAS Number | 162045-54-7 |
| Catalog Number | AG001SO7(AGN-PC-0JF43P) |
| Chemical Name | 3-(Piperidin-4-yl)benzo[d]oxazol-2(3H)-one hydrochloride |
| IUPAC Name | 3-piperidin-4-yl-1,3-benzoxazol-2-one;hydrochloride |
| InChI | InChI=1S/C12H14N2O2.ClH/c15-12-14(9-5-7-13-8-6-9)10-3-1-2-4-11(10)16-12;/h1-4,9,13H,5-8H2;1H |
| InChI Key | JIGZAUJELAUKGA-UHFFFAOYSA-N |
| MDL Number | MFCD26743426 |
| Molecular Formula | C12H15ClN2O2 |
| Molecular Weight | 254.7127 |
| SMILES | Cl.O=C1N(C2CCNCC2)C2=C(C=CC=C2)O1 |
| Synonyms | 3-(Piperidin-4-yl)benzo[d]oxazol-2(3H)-one hydrochloride,
162045-54-7,
AK126385,
KS-00000QYP,
DTXSID40855955,
MFCD26743426,
AKOS016012927,
DS-5216,
AX8243777,
ST24041656,
3-(PIPERIDIN-4-YL)BENZO[D]OXAZOL-2(3H)-ONE HCL,
3-(Piperidin-4-yl)-1,3-benzoxazol-2(3H)-one--hydrogen chloride (1/1),
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.714g/mol |
| Monoisotopic Mass | 254.082g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.6A^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