| CAS Number | 1915004-58-8 |
| Catalog Number | AG01EFNG(AGN-PC-0WOH3T) |
| Chemical Name | Methyl 3,3-dimethylpiperidine-4-carboxylate hydrochloride |
| IUPAC Name | methyl 3,3-dimethylpiperidine-4-carboxylate;hydrochloride |
| InChI | InChI=1S/C9H17NO2.ClH/c1-9(2)6-10-5-4-7(9)8(11)12-3;/h7,10H,4-6H2,1-3H3;1H |
| InChI Key | DDGNULFBXWLPLT-UHFFFAOYSA-N |
| MDL Number | MFCD30471793 |
| Molecular Formula | C9H18ClNO2 |
| Molecular Weight | 207.6977 |
| SMILES | Cl.CC1(CNCCC1C(=O)OC)C |
| Synonyms | 1915004-58-8,
Methyl 3,3-dimethylpiperidine-4-carboxylate hydrochloride,
Methyl 3,3-dimethylpiperidine-4-carboxylate HCl,
SCHEMBL17714300,
MFCD30471793,
AKOS030627996,
AS-54998,
CS-0039616,
4-Piperidinecarboxylic acid, 3,3-dimethyl-, methyl ester, hydrochloride (1:1),
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| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.698g/mol |
| Monoisotopic Mass | 207.103g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| 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