| CAS Number | 66380-03-8 |
| Catalog Number | AG00IBLJ(AGN-PC-0TKIMU) |
| Chemical Name | 2-(methylamino)-2-(4-methylphenyl)acetic acid hydrochloride |
| IUPAC Name | 2-(methylamino)-2-(4-methylphenyl)acetic acid;hydrochloride |
| InChI | InChI=1S/C10H13NO2.ClH/c1-7-3-5-8(6-4-7)9(11-2)10(12)13;/h3-6,9,11H,1-2H3,(H,12,13);1H |
| InChI Key | VCSCYZLFUOOBAZ-UHFFFAOYSA-N |
| MDL Number | MFCD29035407 |
| Molecular Formula | C10H14ClNO2 |
| Molecular Weight | 215.6767 |
| SMILES | Cl.CNC(C1=CC=C(C)C=C1)C(O)=O |
| Synonyms | 66380-03-8,
2-(Methylamino)-2-(p-tolyl)acetic acid hydrochloride,
2-(Methylamino)-2-(4-methylphenyl)acetic acid hydrochloride,
Benzeneacetic acid, 4-methyl-a-(methylamino)-, hydrochloride,
2-(methylamino)-2-(4-methylphenyl)acetic acid;hydrochloride,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.071306g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.67g/mol |
| Monoisotopic Mass | 215.071306g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.3Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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