| CAS Number | 1075220-87-9 |
| Catalog Number | AG01ABE7 |
| Chemical Name | methyl 1-(prop-2-yn-1-yl)piperidine-2-carboxylate |
| IUPAC Name | methyl 1-prop-2-ynylpiperidine-2-carboxylate |
| InChI | InChI=1S/C10H15NO2/c1-3-7-11-8-5-4-6-9(11)10(12)13-2/h1,9H,4-8H2,2H3 |
| InChI Key | KOSWKTCGACCJCX-UHFFFAOYSA-N |
| MDL Number | MFCD17977138 |
| Molecular Formula | C10H15NO2 |
| Molecular Weight | 181.2316 |
| SMILES | COC(C1N(CC#C)CCCC1)=O |
| Synonyms | methyl 1-(prop-2-yn-1-yl)piperidine-2-carboxylate,
1075220-87-9,
AC1Q43XE,
SCHEMBL927125,
AKOS033548541,
MCULE-7871529749,
NE44563,
EN300-71377,
Z169456076,
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.235g/mol |
| Monoisotopic Mass | 181.11g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number