| CAS Number | 578026-68-3 |
| Catalog Number | AG01ELL8 |
| Chemical Name | 4-[4-(Aminomethyl)phenyl]benzoic acid hydrochloride |
| IUPAC Name | 4-[4-(aminomethyl)phenyl]benzoic acid;hydrochloride |
| InChI | InChI=1S/C14H13NO2.ClH/c15-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)14(16)17;/h1-8H,9,15H2,(H,16,17);1H |
| InChI Key | ZBIAHIYQFFLIGR-UHFFFAOYSA-N |
| MDL Number | MFCD31560156 |
| Molecular Formula | C14H14ClNO2 |
| Molecular Weight | 263.7195 |
| SMILES | Cl.O=C(O)C=1C=CC(=CC1)C2=CC=C(C=C2)CN |
| Synonyms | 4'-(Aminomethyl)-biphenyl-4-carboxylic acid hydrochloride,
380228-55-7,
SCHEMBL1853914,
ZBIAHIYQFFLIGR-UHFFFAOYSA-N,
4-(4-carboxyphenyl)benzylamine hydrochloride,
4-[4-(aminomethyl)phenyl]benzoic acid hydrochloride,
578026-68-3,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.721g/mol |
| Monoisotopic Mass | 263.071g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number