| CAS Number | 208588-34-5 |
| Catalog Number | AG00I3ZP(AGN-PC-01ZSVE) |
| Chemical Name | Benzyl 4-aminobenzoate hydrochloride |
| IUPAC Name | benzyl 4-aminobenzoate;hydrochloride |
| InChI | InChI=1S/C14H13NO2.ClH/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11;/h1-9H,10,15H2;1H |
| InChI Key | LGUPRLAPQNVKST-UHFFFAOYSA-N |
| MDL Number | MFCD20039646 |
| Molecular Formula | C14H14ClNO2 |
| Molecular Weight | 263.7195 |
| SMILES | Cl.NC1=CC=C(C=C1)C(=O)OCC1=CC=CC=C1 |
| Synonyms | Benzyl 4-aminobenzoate hydrochloride,
208588-34-5,
Benzyl 4-aminobenzoate HCl,
SCHEMBL2146029,
MFCD20039646,
AKOS027252595,
AS-30385,
Benzoic acid, 4-amino-, phenylmethyl ester, hydrochloride,
|
| Complexity | 241 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.721g/mol |
| Monoisotopic Mass | 263.071g/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
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Certificate of Analysis
Lot Number