| CAS Number | 1185002-20-3 |
| Catalog Number | AG009OC5(AGN-PC-0WBW76) |
| Chemical Name | 4-(2,5-Dimethylphenoxy)piperidine hydrochloride |
| IUPAC Name | 4-(2,5-dimethylphenoxy)piperidine;hydrochloride |
| InChI | InChI=1S/C13H19NO.ClH/c1-10-3-4-11(2)13(9-10)15-12-5-7-14-8-6-12;/h3-4,9,12,14H,5-8H2,1-2H3;1H |
| InChI Key | CLZIRYZAJPCXKN-UHFFFAOYSA-N |
| MDL Number | MFCD11100497 |
| Molecular Formula | C13H20ClNO |
| Molecular Weight | 241.7570 |
| SMILES | Cl.CC1=CC(OC2CCNCC2)=C(C)C=C1 |
| Synonyms | 4-(2,5-dimethylphenoxy)piperidine hydrochloride,
1185002-20-3,
CTK6B9686,
0091AD,
AKOS015844441,
MCULE-9048236656,
NE27757,
TR-047407,
EN300-52644,
C13H20ClNO,
AC1Q39FL,
4-(2,5-DIMETHYLPHENOXY)PIPERIDINE,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.123342g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.76g/mol |
| Monoisotopic Mass | 241.123342g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 21.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number