| CAS Number | 769961-16-2 |
| Catalog Number | AG01BHN8(AGN-PC-01LV9H) |
| Chemical Name | 4-CHLORO-3-(MORPHOLIN-4-YLMETHYL)ANILINE |
| IUPAC Name | 4-chloro-3-(morpholin-4-ylmethyl)aniline |
| InChI | InChI=1S/C11H15ClN2O/c12-11-2-1-10(13)7-9(11)8-14-3-5-15-6-4-14/h1-2,7H,3-6,8,13H2 |
| InChI Key | KHBXNTAWKWNUIS-UHFFFAOYSA-N |
| MDL Number | MFCD16314186 |
| Molecular Formula | C11H15ClN2O |
| Molecular Weight | 226.7026 |
| SMILES | NC1=CC=C(Cl)C(CN2CCOCC2)=C1 |
| Synonyms | 769961-16-2,
4-chloro-3-(morpholin-4-ylmethyl)aniline,
4-chloro-3-morpholin-4-ylmethyl-phenylamine,
SCHEMBL520610,
ZINC20192486,
AKOS009359316,
DA-03486,
4-chloro-3-[(morpholin-4-yl)methyl]aniline,
Z1992316417,
|
| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.704g/mol |
| Monoisotopic Mass | 226.087g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number