| CAS Number | 883531-73-5 |
| Catalog Number | AG01A7AQ(AGN-PC-02YH7P) |
| Chemical Name | 4-(3,4-Dimethylphenoxy)piperidine |
| IUPAC Name | 4-(3,4-dimethylphenoxy)piperidine |
| InChI | InChI=1S/C13H19NO/c1-10-3-4-13(9-11(10)2)15-12-5-7-14-8-6-12/h3-4,9,12,14H,5-8H2,1-2H3 |
| InChI Key | LHFODAAPLVSGBY-UHFFFAOYSA-N |
| MDL Number | MFCD06247255 |
| Molecular Formula | C13H19NO |
| Molecular Weight | 205.2961 |
| SMILES | CC1=C(C)C=C(OC2CCNCC2)C=C1 |
| Synonyms | 4-(3,4-dimethylphenoxy)piperidine,
883531-73-5,
AC1Q2DZ0,
SCHEMBL3130589,
DTXSID30609540,
ZINC19422567,
AKOS000168161,
MCULE-9544601026,
NE33490,
AJ-73407,
EN300-58185,
AB00999782-01,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.301g/mol |
| Monoisotopic Mass | 205.147g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number