| CAS Number | 91843-34-4 |
| Catalog Number | AG019FTR(AGN-PC-0OMZFV) |
| Chemical Name | Ethyl 3-(aminomethyl)benzoate hydrochloride |
| IUPAC Name | ethyl 3-(aminomethyl)benzoate;hydrochloride |
| InChI | InChI=1S/C10H13NO2.ClH/c1-2-13-10(12)9-5-3-4-8(6-9)7-11;/h3-6H,2,7,11H2,1H3;1H |
| InChI Key | ZCJPKKXXARXXCJ-UHFFFAOYSA-N |
| MDL Number | MFCD16660252 |
| Molecular Formula | C10H14ClNO2 |
| Molecular Weight | 215.6767 |
| SMILES | O=C(OCC)C1=CC=CC(CN)=C1.[H]Cl |
| Synonyms | 91843-34-4,
Ethyl 3-(aminomethyl)benzoate hydrochloride,
Benzoic acid, 3-(aminomethyl)-, ethyl ester, hydrochloride,
Ethyl 3-(aminomethyl)benzoate HCl,
3-(Aminomethyl)-benzoic acidethylesterhydrochloride,
MFCD16660252,
AKOS022177323,
NE35395,
3-(Aminomethyl)-benzoic acidethylesterHCl,
3-(Aminomethyl)benzoic acid ethyl ester hydrochloride,
|
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.677g/mol |
| Monoisotopic Mass | 215.071g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number