| CAS Number | 1158573-13-7 |
| Catalog Number | AG00J1UB(AGN-PC-0WB6QT) |
| Chemical Name | 4-[(Ethylamino)methyl]benzoic acid hydrochloride |
| IUPAC Name | 4-(ethylaminomethyl)benzoic acid;hydrochloride |
| InChI | InChI=1S/C10H13NO2.ClH/c1-2-11-7-8-3-5-9(6-4-8)10(12)13;/h3-6,11H,2,7H2,1H3,(H,12,13);1H |
| InChI Key | ZRHGRKXIJANOSS-UHFFFAOYSA-N |
| MDL Number | MFCD08707986 |
| Molecular Formula | C10H14ClNO2 |
| Molecular Weight | 215.6767 |
| SMILES | C(O)(=O)C1C=CC(=CC=1)CNCC.Cl |
| Synonyms | 1158573-13-7,
4-[(Ethylamino)methyl]benzoic acid hydrochloride,
4-((Ethylamino)methyl)benzoic acid hydrochloride,
ZX-CM006326,
MFCD08707986,
AKOS027426052,
MCULE-6432764832,
|
| 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 | 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number