| CAS Number | 6384-86-7 |
| Catalog Number | AG01BCBV(AGN-PC-03IK31) |
| Chemical Name | Benzyl 4-(aminomethyl)benzoate hydrochloride |
| IUPAC Name | benzyl 4-(aminomethyl)benzoate;hydrochloride |
| InChI | InChI=1S/C15H15NO2.ClH/c16-10-12-6-8-14(9-7-12)15(17)18-11-13-4-2-1-3-5-13;/h1-9H,10-11,16H2;1H |
| InChI Key | UZOWFJATINCKSI-UHFFFAOYSA-N |
| MDL Number | MFCD28714773 |
| Molecular Formula | C15H16ClNO2 |
| Molecular Weight | 277.7460 |
| SMILES | Cl.NCC1=CC=C(C(OCC2=CC=CC=C2)=O)C=C1 |
| Synonyms | benzyl 4-(aminomethyl)benzoate hydrochloride,
6384-86-7,
SCHEMBL4371608,
UZOWFJATINCKSI-UHFFFAOYSA-N,
AKOS030260776,
Z2168496127,
4-(aminomethyl)benzoic acid, benzyl ester, hydrochloride salt,
4-(aminomethyl)benzoic acid phenylmethyl ester hcl,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.748g/mol |
| Monoisotopic Mass | 277.087g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number