| CAS Number | 1269755-65-8 |
| Catalog Number | AG000WHE(AGN-PC-0WNH8T) |
| Chemical Name | methyl 6,6-dimethylpiperidine-3-carboxylate |
| IUPAC Name | methyl 6,6-dimethylpiperidine-3-carboxylate |
| InChI | InChI=1S/C9H17NO2/c1-9(2)5-4-7(6-10-9)8(11)12-3/h7,10H,4-6H2,1-3H3 |
| InChI Key | ZSZCHXGCKWYCSB-UHFFFAOYSA-N |
| MDL Number | MFCD20669264 |
| Molecular Formula | C9H17NO2 |
| Molecular Weight | 171.2368 |
| SMILES | COC(C1CNC(C)(C)CC1)=O |
| Synonyms | methyl 6,6-dimethylpiperidine-3-carboxylate,
1269755-65-8,
3-Piperidinecarboxylic acid, 6,6-dimethyl-, methyl ester,
SCHEMBL1439386,
ZSZCHXGCKWYCSB-UHFFFAOYSA-N,
MFCD20669264,
KS-000008S4,
AS-53594,
CS-0048956,
3-Piperidinecarboxylicacid,6,6-dimethyl-,methylester,
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| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.24g/mol |
| Monoisotopic Mass | 171.126g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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