| CAS Number | 848819-86-3 |
| Catalog Number | AG00GAL3(AGN-PC-0BIG4X) |
| Chemical Name | Ethyl 3-amino-4-(benzylamino)benzoate |
| IUPAC Name | ethyl 3-amino-4-(benzylamino)benzoate |
| InChI | InChI=1S/C16H18N2O2/c1-2-20-16(19)13-8-9-15(14(17)10-13)18-11-12-6-4-3-5-7-12/h3-10,18H,2,11,17H2,1H3 |
| InChI Key | UZHGOOKAYVYECF-UHFFFAOYSA-N |
| MDL Number | MFCD13562752 |
| Molecular Formula | C16H18N2O2 |
| Molecular Weight | 270.3263 |
| SMILES | CCOC(=O)c1ccc(c(c1)N)NCc1ccccc1 |
| Synonyms | Ethyl 3-amino-4-(benzylamino)benzoate,
848819-86-3,
CTK6F6256,
0546AF,
ZINC41080202,
AKOS010568241,
AJ-103964,
TR-070095,
C16H18N2O2,
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| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.332g/mol |
| Monoisotopic Mass | 270.137g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number