| CAS Number | 1185301-31-8 |
| Catalog Number | AG00J112 |
| Chemical Name | 1-(2-Furylmethyl)-3-piperidinecarboxylic acid hydrochloride |
| IUPAC Name | 1-(furan-2-ylmethyl)piperidine-3-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C11H15NO3.ClH/c13-11(14)9-3-1-5-12(7-9)8-10-4-2-6-15-10;/h2,4,6,9H,1,3,5,7-8H2,(H,13,14);1H |
| InChI Key | ASKNLWZWRVKGOZ-UHFFFAOYSA-N |
| MDL Number | MFCD08543837 |
| Molecular Formula | C11H16ClNO3 |
| Molecular Weight | 245.7026 |
| SMILES | OC(=O)C1CCCN(C1)Cc1ccco1.Cl |
| Synonyms | 1-(2-furylmethyl)-3-piperidinecarboxylic acid hydrochloride,
1-FURAN-2-YLMETHYL-PIPERIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE,
1185301-31-8,
CTK7I9526,
ZX-CM002448,
MFCD08543837,
AKOS015848320,
RTR-049836,
TR-049836,
1-(furan-2-ylmethyl)piperidine-3-carboxylic acid hydrochloride,
1-(2-Furylmethyl)piperidine-3-carboxylic acid hydrochloride, AldrichCPR,
883542-33-4,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.703g/mol |
| Monoisotopic Mass | 245.082g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 53.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number