| CAS Number | 18739-38-3 |
| Catalog Number | AG01B8EK(AGN-PC-0047B5) |
| Chemical Name | 4-Methylpiperidine-1-carbonyl Chloride |
| IUPAC Name | 4-methylpiperidine-1-carbonyl chloride |
| InChI | InChI=1S/C7H12ClNO/c1-6-2-4-9(5-3-6)7(8)10/h6H,2-5H2,1H3 |
| InChI Key | WRROPVUNDBWCQY-UHFFFAOYSA-N |
| MDL Number | MFCD19281920 |
| Molecular Formula | C7H12ClNO |
| Molecular Weight | 161.6293 |
| SMILES | CC1CCN(C(Cl)=O)CC1 |
| Synonyms | 4-Methylpiperidine-1-carbonyl Chloride,
18739-38-3,
4-methyl-piperidine-1-carbonyl chloride,
SCHEMBL1148732,
WRROPVUNDBWCQY-UHFFFAOYSA-N,
ZINC34498500,
4-methylpiperidin-1-carbonyl chloride,
4-methyl-1-piperidinecarbonyl chloride,
AKOS017514796,
4-methyl-piperidin-1-carbonyl chloride,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.629g/mol |
| Monoisotopic Mass | 161.061g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number