| CAS Number | 160408-65-1 |
| Catalog Number | AG019LZU |
| Chemical Name | Methyl 4-[(methylamino)methyl]benzoate hydrochloride |
| IUPAC Name | methyl 4-(methylaminomethyl)benzoate;hydrochloride |
| InChI | InChI=1S/C10H13NO2.ClH/c1-11-7-8-3-5-9(6-4-8)10(12)13-2;/h3-6,11H,7H2,1-2H3;1H |
| InChI Key | YHSLJDKSLVUFDO-UHFFFAOYSA-N |
| MDL Number | MFCD09971669 |
| Molecular Formula | C10H14ClNO2 |
| Molecular Weight | 215.6767 |
| SMILES | CNCC1=CC=C(C(=O)OC)C=C1.Cl |
| Synonyms | methyl 4-[(methylamino)methyl]benzoate hydrochloride,
160408-65-1,
AC1Q3BSZ,
SCHEMBL9638765,
CTK6I5383,
YHSLJDKSLVUFDO-UHFFFAOYSA-N,
AKOS008064222,
MCULE-9677545581,
NE17453,
EN300-33547,
Z1245537813,
4-(N-methylaminomethyl)benzoic acid methyl ester hydrochloride,
Methyl 4-[(methylamino)methyl]benzoate HCl,
|
| Complexity | 162 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.677g/mol |
| Monoisotopic Mass | 215.071g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number