| CAS Number | 1226917-12-9 |
| Catalog Number | AG01C3O7 |
| Chemical Name | 4-{[4-(chloromethyl)phenyl]methyl}morpholine hydrochloride |
| IUPAC Name | 4-[[4-(chloromethyl)phenyl]methyl]morpholine;hydrochloride |
| InChI | InChI=1S/C12H16ClNO.ClH/c13-9-11-1-3-12(4-2-11)10-14-5-7-15-8-6-14;/h1-4H,5-10H2;1H |
| InChI Key | QBTAOZPJURTGME-UHFFFAOYSA-N |
| MDL Number | MFCD29762831 |
| Molecular Formula | C12H17Cl2NO |
| Molecular Weight | 262.1755 |
| SMILES | ClCC1=CC=C(CN2CCOCC2)C=C1.[H]Cl |
| Synonyms | 4-{[4-(chloromethyl)phenyl]methyl}morpholine hydrochloride,
1226917-12-9,
4-(4-(chloromethyl)benzyl)morpholine hydrochloride,
4-[4-(Chloromethyl)benzyl]morpholine hydrochloride,
SCHEMBL2334533,
QBTAOZPJURTGME-UHFFFAOYSA-N,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.174g/mol |
| Monoisotopic Mass | 261.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number