| CAS Number | 446852-20-6 |
| Catalog Number | AG01FO59(AGN-PC-0WBTQK) |
| Chemical Name | 3-(2-Morpholin-4-yl-acetylamino)-benzoicacid |
| IUPAC Name | 3-[(2-morpholin-4-ylacetyl)amino]benzoic acid |
| InChI | InChI=1S/C13H16N2O4/c16-12(9-15-4-6-19-7-5-15)14-11-3-1-2-10(8-11)13(17)18/h1-3,8H,4-7,9H2,(H,14,16)(H,17,18) |
| InChI Key | IWKYZVAJVHQZDJ-UHFFFAOYSA-N |
| Molecular Formula | C13H16N2O4 |
| Molecular Weight | 264.2700 |
| SMILES | C1COCCN1CC(=O)NC2=CC=CC(=C2)C(=O)O |
| Synonyms | 3-(2-Morpholin-4-yl-acetylamino)-benzoic acid,
BAS 05152583,
446852-20-6,
3-(2-Morpholinoacetamido)benzoic acid,
AC1LL3E1,
CTK7G6734,
ZINC790631,
AKOS000535678,
TR-041550,
3-[2-(morpholin-4-yl)acetamido]benzoic acid,
3-[(2-morpholin-4-ylacetyl)amino]benzoic acid,
SR-01000362390,
SR-01000362390-1,
3-[(4-Morpholinylacetyl)amino]benzoic acid, AldrichCPR,
CID1078095,
|
| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.281g/mol |
| Monoisotopic Mass | 264.111g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number