| CAS Number | 72761-91-2 |
| Catalog Number | AG01AGRN |
| Chemical Name | 2-{[(3-methylphenyl)methyl]amino}acetic acid hydrochloride |
| IUPAC Name | 2-[(3-methylphenyl)methylamino]acetic acid;hydrochloride |
| InChI | InChI=1S/C10H13NO2.ClH/c1-8-3-2-4-9(5-8)6-11-7-10(12)13;/h2-5,11H,6-7H2,1H3,(H,12,13);1H |
| InChI Key | YDTLCKKZVMMENR-UHFFFAOYSA-N |
| MDL Number | MFCD00022691 |
| Molecular Formula | C10H14ClNO2 |
| Molecular Weight | 215.6767 |
| SMILES | Cl.CC1=CC(CNCC(O)=O)=CC=C1 |
| Synonyms | 2-{[(3-methylphenyl)methyl]amino}acetic acid hydrochloride,
72761-91-2,
AC1Q39F8,
MCULE-9278241705,
NE16296,
EN300-72645,
Z1270446344,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.677g/mol |
| Monoisotopic Mass | 215.071g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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