| CAS Number | 62754-26-1 |
| Catalog Number | AG00ELRS(AGN-PC-002XFC) |
| Chemical Name | tert-Butyl 3,4-diaminobenzoate |
| IUPAC Name | tert-butyl 3,4-diaminobenzoate |
| InChI | InChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)7-4-5-8(12)9(13)6-7/h4-6H,12-13H2,1-3H3 |
| InChI Key | PSXWMTJULZJDAI-UHFFFAOYSA-N |
| MDL Number | MFCD20039955 |
| Molecular Formula | C11H16N2O2 |
| Molecular Weight | 208.2569 |
| SMILES | CC(OC(C1=CC(N)=C(N)C=C1)=O)(C)C |
| Synonyms | tert-butyl 3,4-diaminobenzoate,
62754-26-1,
Benzoic acid, 3,4-diamino-, 1,1-dimethylethyl ester,
SCHEMBL11090176,
CTK2B2864,
DTXSID50565033,
MFCD20039955,
ZINC34405861,
3,4-diamino-benzoic acid tert-butyl ester,
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| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.261g/mol |
| Monoisotopic Mass | 208.121g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number