| CAS Number | 299164-93-5 |
| Catalog Number | AG00I5JS |
| Chemical Name | 3-Amino-3-(2-ethylphenyl)propanoic acid |
| IUPAC Name | 3-amino-3-(2-ethylphenyl)propanoic acid |
| InChI | InChI=1S/C11H15NO2/c1-2-8-5-3-4-6-9(8)10(12)7-11(13)14/h3-6,10H,2,7,12H2,1H3,(H,13,14) |
| InChI Key | OXHHZHRTZJZMKR-UHFFFAOYSA-N |
| MDL Number | MFCD02663196 |
| Molecular Formula | C11H15NO2 |
| Molecular Weight | 193.2423 |
| SMILES | CCC1=C(C(CC(O)=O)N)C=CC=C1 |
| Synonyms | 3-amino-3-(2-ethylphenyl)propanoic acid,
299164-93-5,
3-AMINO-3-(2-ETHYL-PHENYL)-PROPIONIC ACID,
Oprea1_218558,
CTK6D2201,
BAA-0043,
ZX-BK000135,
BBL008179,
STK043832,
AKOS001475905,
MCULE-3358180096,
BBV-34218901,
VS-01847,
BB 0249719,
T7161,
AC1MCLAH,
3-(2-ethylphenyl)-beta-alanine,
CID2772343,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.110279g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.24g/mol |
| Monoisotopic Mass | 193.110279g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.3Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number