| CAS Number | 1171504-55-4 |
| Catalog Number | AG019V0O(AGN-PC-0WC3JO) |
| Chemical Name | 4-(2,3-Dimethylphenoxy)piperidine hydrochloride |
| IUPAC Name | 4-(2,3-dimethylphenoxy)piperidine;hydrochloride |
| InChI | InChI=1S/C13H19NO.ClH/c1-10-4-3-5-13(11(10)2)15-12-6-8-14-9-7-12;/h3-5,12,14H,6-9H2,1-2H3;1H |
| InChI Key | VBWOSYGIVMYQAN-UHFFFAOYSA-N |
| MDL Number | MFCD11858071 |
| Molecular Formula | C13H20ClNO |
| Molecular Weight | 241.7570 |
| SMILES | CC1=C(C)C(OC2CCNCC2)=CC=C1.[H]Cl |
| Synonyms | 4-(2,3-dimethylphenoxy)piperidine hydrochloride,
1171504-55-4,
AC1Q39B7,
CTK6B3909,
9812AC,
AKOS015844497,
MCULE-8567419017,
NE59040,
TR-067630,
EN300-43392,
4-(2,3-dimethylphenoxy)piperidine;hydrochloride,
C13H20ClNO,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.123g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.759g/mol |
| Monoisotopic Mass | 241.123g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number