| CAS Number | 380383-79-9 |
| Catalog Number | AG00I7HD(AGN-PC-0RFAC6) |
| Chemical Name | 4-(N-Tert-butoxycarbonylhydrazino)benzoic acid ethyl ester |
| IUPAC Name | ethyl 4-[amino-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoate |
| InChI | InChI=1S/C14H20N2O4/c1-5-19-12(17)10-6-8-11(9-7-10)16(15)13(18)20-14(2,3)4/h6-9H,5,15H2,1-4H3 |
| InChI Key | PJYWFCQWDGXMAK-UHFFFAOYSA-N |
| MDL Number | MFCD17392796 |
| Molecular Formula | C14H20N2O4 |
| Molecular Weight | 280.3196 |
| SMILES | CCOC(=O)c1ccc(cc1)N(N)C(=O)OC(C)(C)C |
| Synonyms | 380383-79-9,
4-(N-TERT-BUTOXYCARBONYLHYDRAZINO)BENZOIC ACID ETHYL ESTER,
tert-Butyl 1-(4-(ethoxycarbonyl)phenyl)hydrazinecarboxylate,
tert-butyl 1-[4-(ethoxycarbonyl)phenyl]hydrazinecarboxylate,
SCHEMBL2309862,
PJYWFCQWDGXMAK-UHFFFAOYSA-N,
MFCD17392796,
ZINC91303459,
AM805218,
CS-0038541,
N-[4-(Ethoxycarbonyl)phenyl]carbazic acid tert-butyl ester,
ethyl 4-[amino-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoate,
Hydrazinecarboxylic acid, 1-[4-(ethoxycarbonyl)phenyl]-,1,1-dimethylethyl ester,
|
| Complexity | 344 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.324g/mol |
| Monoisotopic Mass | 280.142g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 81.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number