| CAS Number | 704903-16-2 |
| Catalog Number | AG00IC2I(AGN-PC-0WP1TN) |
| Chemical Name | 2-(Methylamino)-2-(4-methylphenyl)acetic acid |
| IUPAC Name | 2-(methylamino)-2-(4-methylphenyl)acetic acid |
| InChI | InChI=1S/C10H13NO2/c1-7-3-5-8(6-4-7)9(11-2)10(12)13/h3-6,9,11H,1-2H3,(H,12,13) |
| InChI Key | USRSPVZYWZMLRZ-UHFFFAOYSA-N |
| MDL Number | MFCD12047915 |
| Molecular Formula | C10H13NO2 |
| Molecular Weight | 179.2157 |
| SMILES | CNC(C1=CC=C(C)C=C1)C(O)=O |
| Synonyms | 704903-16-2,
2-(methylamino)-2-(4-methylphenyl)acetic acid,
2-(Methylamino)-2-(p-tolyl)acetic acid,
SCHEMBL15787345,
Methylamino-p-tolyl-acetic acid,
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| Complexity | 174 |
| 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 | 3 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
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Certificate of Analysis
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