| CAS Number | 236406-33-0 |
| Catalog Number | AG002NZL(AGN-PC-0QZTJK) |
| Chemical Name | 1-Piperidinecarboxylic acid, 4-(2-hydroxyethyl)-4-methyl-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 4-(2-hydroxyethyl)-4-methylpiperidine-1-carboxylate |
| InChI | InChI=1S/C13H25NO3/c1-12(2,3)17-11(16)14-8-5-13(4,6-9-14)7-10-15/h15H,5-10H2,1-4H3 |
| InChI Key | RXLUHODTRLEMKU-UHFFFAOYSA-N |
| MDL Number | MFCD22628147 |
| Molecular Formula | C13H25NO3 |
| Molecular Weight | 243.3425 |
| SMILES | O=C(N1CCC(C)(CCO)CC1)OC(C)(C)C |
| Synonyms | tert-butyl 4-(2-hydroxyethyl)-4-methylpiperidine-1-carboxylate,
236406-33-0,
AK135013,
RXLUHODTRLEMKU-UHFFFAOYSA-N,
SCHEMBL4975667,
DTXSID10632518,
MFCD22628147,
ZINC38540655,
AKOS016845829,
FCH1662955,
AJ-96475,
EN000911,
AX8243948,
CS-0079654,
1-Piperidinecarboxylic acid, 4-(2-hydroxyethyl)-4-methyl-, 1,1-dimethylethyl ester,
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| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.183g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.347g/mol |
| Monoisotopic Mass | 243.183g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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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