| CAS Number | 199327-17-8 |
| Catalog Number | AG00AP61 |
| Chemical Name | 2-Amino-2-(3,5-dimethylphenyl)acetic acid |
| IUPAC Name | 2-amino-2-(3,5-dimethylphenyl)acetic acid |
| InChI | InChI=1S/C10H13NO2/c1-6-3-7(2)5-8(4-6)9(11)10(12)13/h3-5,9H,11H2,1-2H3,(H,12,13) |
| InChI Key | YDZDSCDHEYQPSA-UHFFFAOYSA-N |
| MDL Number | MFCD02662461 |
| Molecular Formula | C10H13NO2 |
| Molecular Weight | 179.2157 |
| SMILES | NC(C(=O)O)C1=CC(=CC(=C1)C)C |
| Synonyms | Amino-(3,5-dimethyl-phenyl)-acetic acid,
199327-17-8,
2-amino-2-(3,5-dimethylphenyl)acetic Acid,
amino(3,5-dimethylphenyl)acetic acid,
AC1N0NET,
CTK7D4305,
BBL022177,
MFCD02662461,
STK130268,
AKOS001476020,
MCULE-7813491610,
NCGC00338829-01,
BB 0249666,
A57192,
K-5828,
AB01331279-02,
Z1708089983,
CID3940593,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.219g/mol |
| Monoisotopic Mass | 179.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number