| CAS Number | 82924-67-2 |
| Catalog Number | AG01AJI3 |
| Chemical Name | 4-[(4-Methoxyphenyl)amino]butanoic acid |
| IUPAC Name | 4-(4-methoxyanilino)butanoic acid |
| InChI | InChI=1S/C11H15NO3/c1-15-10-6-4-9(5-7-10)12-8-2-3-11(13)14/h4-7,12H,2-3,8H2,1H3,(H,13,14) |
| InChI Key | LXPFLIUKOLTAIJ-UHFFFAOYSA-N |
| MDL Number | MFCD09814968 |
| Molecular Formula | C11H15NO3 |
| Molecular Weight | 209.2417 |
| SMILES | COC1=CC=C(NCCCC(O)=O)C=C1 |
| Synonyms | 4-[(4-METHOXYPHENYL)AMINO]BUTANOIC ACID,
82924-67-2,
4-(p-anisidino)butyric acid,
SCHEMBL2677428,
CTK7A4919,
LXPFLIUKOLTAIJ-UHFFFAOYSA-N,
ZINC19408334,
AKOS000166132,
MCULE-8818714469,
NE26566,
EN300-80823,
Z1259341111,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.245g/mol |
| Monoisotopic Mass | 209.105g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number