| CAS Number | 1423033-37-7 |
| Catalog Number | AG01A390(AGN-PC-0WOS1C) |
| Chemical Name | 3-(Morpholin-2-yl)benzonitrile hydrochloride |
| IUPAC Name | 3-morpholin-2-ylbenzonitrile;hydrochloride |
| InChI | InChI=1S/C11H12N2O.ClH/c12-7-9-2-1-3-10(6-9)11-8-13-4-5-14-11;/h1-3,6,11,13H,4-5,8H2;1H |
| InChI Key | XDNTWVKXMLAEBD-UHFFFAOYSA-N |
| MDL Number | MFCD22628545 |
| Molecular Formula | C11H13ClN2O |
| Molecular Weight | 224.6867 |
| SMILES | Cl.N#CC1=CC(C2OCCNC2)=CC=C1 |
| Synonyms | 3-(morpholin-2-yl)benzonitrile hydrochloride,
1423033-37-7,
AKOS026742154,
MCULE-2169735930,
NE34285,
EN300-120596,
Z1795818175,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.688g/mol |
| Monoisotopic Mass | 224.072g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number