| CAS Number | 1334488-49-1 |
| Catalog Number | AG009I74(AGN-PC-0BHUI5) |
| Chemical Name | 1-(6-Methoxy-pyrimidin-4-yl)-piperidine-4-carboxylic acid |
| IUPAC Name | 1-(6-methoxypyrimidin-4-yl)piperidine-4-carboxylic acid |
| InChI | InChI=1S/C11H15N3O3/c1-17-10-6-9(12-7-13-10)14-4-2-8(3-5-14)11(15)16/h6-8H,2-5H2,1H3,(H,15,16) |
| InChI Key | ZBHGDAPDHFJOMY-UHFFFAOYSA-N |
| MDL Number | MFCD20231597 |
| Molecular Formula | C11H15N3O3 |
| Molecular Weight | 237.2551 |
| SMILES | O=C(C1CCN(C2=NC=NC(OC)=C2)CC1)O |
| Synonyms | 1-(6-Methoxypyrimidin-4-yl)piperidine-4-carboxylic acid,
1334488-49-1,
1-(6-Methoxy-pyrimidin-4-yl)-piperidine-4-carboxylic acid,
AK160443,
KS-00000SJJ,
HTS028501,
MFCD20231597,
ZINC70451481,
AKOS015638148,
DS-9719,
AJ-117355,
AX8293578,
BC4766117,
CS-0062016,
ST24037502,
1-(6-methoxy-4-pyrimidinyl)-4-piperidinecarboxylic acid,
C11H15N3O3,
ACN-052999,
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| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.259g/mol |
| Monoisotopic Mass | 237.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number