| CAS Number | 138621-64-4 |
| Catalog Number | AG0018W5(AGN-PC-0PN2AD) |
| Chemical Name | 3-Amino-3-(2,5-dimethoxyphenyl)propanoic acid |
| IUPAC Name | 3-amino-3-(2,5-dimethoxyphenyl)propanoic acid |
| InChI | InChI=1S/C11H15NO4/c1-15-7-3-4-10(16-2)8(5-7)9(12)6-11(13)14/h3-5,9H,6,12H2,1-2H3,(H,13,14) |
| InChI Key | ITSCOEWJLBLPCK-UHFFFAOYSA-N |
| MDL Number | MFCD01871303 |
| Molecular Formula | C11H15NO4 |
| Molecular Weight | 225.2411 |
| SMILES | COC1=CC(C(CC(O)=O)N)=C(OC)C=C1 |
| Synonyms | 138621-64-4,
3-amino-3-(2,5-dimethoxyphenyl)propanoic acid,
3-AMINO-3-(2,5-DIMETHOXY-PHENYL)-PROPIONIC ACID,
3-amino-3-(2,5-dimethoxyphenyl)propionic acid,
3-AMINO-3-(2,5-DIMETHOXY-PHENYL)-PROPANOIC ACID,
SCHEMBL5368221,
CTK4C1325,
DTXSID10569673,
KS-000023MJ,
AKOS000179907,
AKOS016045554,
AB10452,
CA-0832,
MCULE-9453030279,
SC-59203,
SY044910,
MFCD01871303 (95%),
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| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.244g/mol |
| Monoisotopic Mass | 225.1g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 81.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number