| CAS Number | 3334-67-6 |
| Catalog Number | AG00CZFP(AGN-PC-0R8W89) |
| Chemical Name | 3-[(3-methoxyphenyl)amino]propanoic acid |
| IUPAC Name | 3-(3-methoxyanilino)propanoic acid |
| InChI | InChI=1S/C10H13NO3/c1-14-9-4-2-3-8(7-9)11-6-5-10(12)13/h2-4,7,11H,5-6H2,1H3,(H,12,13) |
| InChI Key | GXUUIWAHDCGIFS-UHFFFAOYSA-N |
| MDL Number | MFCD09755092 |
| Molecular Formula | C10H13NO3 |
| Molecular Weight | 195.2151 |
| SMILES | COC1=CC(NCCC(O)=O)=CC=C1 |
| Synonyms | 3-[(3-methoxyphenyl)amino]propanoic acid,
3334-67-6,
3-((3-Methoxyphenyl)amino)propanoic acid,
beta-Alanine, N-(3-methoxyphenyl)-,
AC1Q48UW,
SCHEMBL642526,
CTK4H0433,
DTXSID70589453,
N-(3-Methoxyphenyl)-beta-alanine,
3-(3-methoxyanilino)propionic acid,
ZINC20133720,
AKOS000298400,
MCULE-5925930598,
NE14416,
EN300-36512,
Z1235963245,
3-[ amino]propanoicacid,
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| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.218g/mol |
| Monoisotopic Mass | 195.09g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number