N-(tert-Butyl)-2-nitroaniline - CAS 28458-45-9
Catalog: |
BB019854 |
Product Name: |
N-(tert-Butyl)-2-nitroaniline |
CAS: |
28458-45-9 |
Synonyms: |
N-tert-butyl-2-nitroaniline; N-tert-butyl-2-nitroaniline |
IUPAC Name: | N-tert-butyl-2-nitroaniline |
Description: | N-(tert-Butyl)-2-nitroaniline (CAS# 28458-45-9) is used as a reactant in the preparation of benzimidazol-2-ones as potent, selective, and orally efficacious norepinephrine reuptake inhibitors. |
Molecular Weight: | 194.23 |
Molecular Formula: | C10H14N2O2 |
Canonical SMILES: | CC(C)(C)NC1=CC=CC=C1[N+](=O)[O-] |
InChI: | InChI=1S/C10H14N2O2/c1-10(2,3)11-8-6-4-5-7-9(8)12(13)14/h4-7,11H,1-3H3 |
InChI Key: | HIGVOOQGROZGET-UHFFFAOYSA-N |
LogP: | 3.40140 |
Publication Number | Title | Priority Date |
CN-111704579-A | Benzimidazole compound synthesis method based on iron-catalyzed redox coupling reaction | 20200409 |
WO-2019140387-A1 | Crbn ligands and uses thereof | 20180112 |
EP-3737675-A1 | Crbn ligands and uses thereof | 20180112 |
US-2020347045-A1 | Crbn ligands and uses thereof | 20180112 |
CN-104703983-B | The double diamine derivatives of (4 (base of piperazine 1) phenyl) pyrimidine 2,4 of N2, N4 or its pharmaceutically acceptable salt, and using it as active component for prevention or the composition for the treatment of cancer | 20120810 |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.105527694 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.105527694 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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