| CAS Number | 938903-87-8 |
| Catalog Number | AG01AA7A |
| Chemical Name | 4'-[(morpholin-4-yl)methyl]-[1,1'-biphenyl]-2-carbonitrile |
| IUPAC Name | 2-[4-(morpholin-4-ylmethyl)phenyl]benzonitrile |
| InChI | InChI=1S/C18H18N2O/c19-13-17-3-1-2-4-18(17)16-7-5-15(6-8-16)14-20-9-11-21-12-10-20/h1-8H,9-12,14H2 |
| InChI Key | QCWCZJHLJHUGCU-UHFFFAOYSA-N |
| MDL Number | MFCD09526527 |
| Molecular Formula | C18H18N2O |
| Molecular Weight | 278.3483 |
| SMILES | N#CC1=C(C2=CC=C(CN3CCOCC3)C=C2)C=CC=C1 |
| Synonyms | 2-[4-(morpholin-4-ylmethyl)phenyl]benzonitrile,
938903-87-8,
EN300-67287,
AC1Q4R0B,
ZINC12978740,
AKOS002589647,
MCULE-7444828494,
NE24016,
Z238740940,
4'-[(morpholin-4-yl)methyl]-[1,1'-biphenyl]-2-carbonitrile,
|
| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.355g/mol |
| Monoisotopic Mass | 278.142g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 36.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number