| CAS Number | 54486-12-3 |
| Catalog Number | AG01A3WO(AGN-PC-0269TZ) |
| Chemical Name | 2,6-Dimethylpiperidine-1-carbonyl chloride |
| IUPAC Name | 2,6-dimethylpiperidine-1-carbonyl chloride |
| InChI | InChI=1S/C8H14ClNO/c1-6-4-3-5-7(2)10(6)8(9)11/h6-7H,3-5H2,1-2H3 |
| InChI Key | JOPVMXGJULJMLT-UHFFFAOYSA-N |
| MDL Number | MFCD19281921 |
| Molecular Formula | C8H14ClNO |
| Molecular Weight | 175.6559 |
| SMILES | CC1N(C(Cl)=O)C(C)CCC1 |
| Synonyms | 2,6-dimethylpiperidine-1-carbonyl chloride,
54486-12-3,
(2R,6S)-2,6-Dimethylpiperidine-1-carbonyl chloride,
1443246-39-6,
SCHEMBL2397617,
CTK1F8754,
2,6-dimethylpiperidinoyl chloride,
DTXSID80597807,
JOPVMXGJULJMLT-UHFFFAOYSA-N,
AKOS017514797,
NE16478,
1-Piperidinecarbonyl chloride, 2,6-dimethyl-,
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| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.656g/mol |
| Monoisotopic Mass | 175.076g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number