| CAS Number | 120244-82-8 |
| Catalog Number | AG01CB6H(AGN-PC-0PEF7Q) |
| Chemical Name | 2-[1-(4-Chlorophenyl)-3-(dimethyloxidoamino)propyl]pyridine |
| IUPAC Name | 3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine oxide |
| InChI | InChI=1S/C16H19ClN2O/c1-19(2,20)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3 |
| InChI Key | NMEICKDXQPVPKK-UHFFFAOYSA-N |
| Molecular Formula | C16H19ClN2O |
| Molecular Weight | 290.7879 |
| SMILES | ClC1=CC=C(C=C1)C(CC[N+](C)(C)[O-])C1=NC=CC=C1 |
| Synonyms | 2-p-chloro-alpha-(2-dimethylaminoethyl)-benzylpyridine N-oxide,
chlorpheniramine N-oxide,
chlorpheniramine N-oxide, (S)-isomer,
Chlorpheniramine N-oxide,
Chlorpheniramine N-Oxide Dihydrochloride,
120244-82-8,
2-Pyridinepropanamine, gamma-(4-chlorophenyl)-N,N-dimethyl-, N-oxide,
UNII-FJP5C38JWU,
FJP5C38JWU,
NMEICKDXQPVPKK-UHFFFAOYSA-N,
|A-(4-Chlorophenyl)-N,N-dimethyl-2-pyridinepropanamine N-Oxide Dihydrochloride,
|
| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.791g/mol |
| Monoisotopic Mass | 290.119g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 31A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number