| CAS Number | 1037132-10-7 |
| Catalog Number | AG01A8F3 |
| Chemical Name | 4-[Benzyl(ethyl)amino]benzoic acid |
| IUPAC Name | 4-[benzyl(ethyl)amino]benzoic acid |
| InChI | InChI=1S/C16H17NO2/c1-2-17(12-13-6-4-3-5-7-13)15-10-8-14(9-11-15)16(18)19/h3-11H,2,12H2,1H3,(H,18,19) |
| InChI Key | XRNGEQAOTMIKSR-UHFFFAOYSA-N |
| MDL Number | MFCD11923146 |
| Molecular Formula | C16H17NO2 |
| Molecular Weight | 255.3117 |
| SMILES | CCN(C1=CC=C(C(O)=O)C=C1)CC1=CC=CC=C1 |
| Synonyms | 4-[benzyl(ethyl)amino]benzoic acid,
1037132-10-7,
AC1Q2ZLB,
ADAL1058953,
ZINC20486689,
AKOS009257296,
MCULE-6935917852,
NE30716,
EN300-61468,
Z1259155868,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.317g/mol |
| Monoisotopic Mass | 255.126g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number