| CAS Number | 155541-87-0 |
| Catalog Number | AG019V26 |
| Chemical Name | Methyl 2-([(4-chlorophenyl)methyl]amino)acetate hydrochloride |
| IUPAC Name | methyl 2-[(4-chlorophenyl)methylamino]acetate;hydrochloride |
| InChI | InChI=1S/C10H12ClNO2.ClH/c1-14-10(13)7-12-6-8-2-4-9(11)5-3-8;/h2-5,12H,6-7H2,1H3;1H |
| InChI Key | CGIDHGMVFUBCGX-UHFFFAOYSA-N |
| MDL Number | MFCD11858093 |
| Molecular Formula | C10H13Cl2NO2 |
| Molecular Weight | 250.1217 |
| SMILES | Cl.COC(CNCC1=CC=C(Cl)C=C1)=O |
| Synonyms | methyl 2-{[(4-chlorophenyl)methyl]amino}acetate hydrochloride,
155541-87-0,
AC1Q3BY8,
SCHEMBL7301390,
CTK6J2653,
AKOS008064780,
MCULE-9075777469,
NE30519,
EN300-43509,
methyl 2-([(4-chlorophenyl)methyl]amino)acetate hydrochloride,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.119g/mol |
| Monoisotopic Mass | 249.032g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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