| CAS Number | 1381944-48-4 |
| Catalog Number | AG00186W(AGN-PC-0J0YED) |
| Chemical Name | Methyl 6-(4-Cbz-aminophenyl)pyridine-2-carboxylate |
| IUPAC Name | methyl 6-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylate |
| InChI | InChI=1S/C21H18N2O4/c1-26-20(24)19-9-5-8-18(23-19)16-10-12-17(13-11-16)22-21(25)27-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,22,25) |
| InChI Key | ISINRBPYTMKVOK-UHFFFAOYSA-N |
| MDL Number | MFCD22375077 |
| Molecular Formula | C21H18N2O4 |
| Molecular Weight | 362.3786 |
| SMILES | COC(=O)c1cccc(n1)c1ccc(cc1)NC(=O)OCc1ccccc1 |
| Synonyms | 1381944-48-4,
Methyl 6-(4-(((benzyloxy)carbonyl)amino)phenyl)picolinate,
ANW-74919,
MFCD22375077,
ZINC85210211,
AKOS016008305,
AJ-126481,
AX8243346,
TC-163664,
V2822,
B-9121,
2-Pyridinecarboxylic acid, 6-[4-[[(phenylmethoxy)carbonyl]amino]phenyl]-, methyl ester,
C21H18N2O4,
Methyl 6-(4-Cbz-aminophenyl)pyridine-2-carboxylate,
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| Complexity | 485 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 362.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 362.385g/mol |
| Monoisotopic Mass | 362.127g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 77.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number