| CAS Number | 1214690-59-1 |
| Catalog Number | AG019WNP(AGN-PC-0WO83G) |
| Chemical Name | 3-methyl-2-(piperidin-1-yl)butanoic acid hydrochloride |
| IUPAC Name | 3-methyl-2-piperidin-1-ylbutanoic acid;hydrochloride |
| InChI | InChI=1S/C10H19NO2.ClH/c1-8(2)9(10(12)13)11-6-4-3-5-7-11;/h8-9H,3-7H2,1-2H3,(H,12,13);1H |
| InChI Key | HEZSMGQDDHZOIH-UHFFFAOYSA-N |
| MDL Number | MFCD12913123 |
| Molecular Formula | C10H20ClNO2 |
| Molecular Weight | 221.7243 |
| SMILES | Cl.CC(C(C(O)=O)N1CCCCC1)C |
| Synonyms | 3-methyl-2-(piperidin-1-yl)butanoic acid hydrochloride,
1214690-59-1,
CTK6A3648,
AC1Q3913,
AKOS026728725,
MCULE-5079253635,
NE20264,
EN300-52544,
Z763367874,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.118g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.725g/mol |
| Monoisotopic Mass | 221.118g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number