N-Isobutyl-2-nitroaniline - CAS 55432-22-9
Catalog: |
BB029037 |
Product Name: |
N-Isobutyl-2-nitroaniline |
CAS: |
55432-22-9 |
Synonyms: |
N-(2-methylpropyl)-2-nitroaniline; N-(2-methylpropyl)-2-nitroaniline |
IUPAC Name: | N-(2-methylpropyl)-2-nitroaniline |
Description: | N-Isobutyl-2-nitroaniline (CAS# 55432-22-9) is a useful research chemical. |
Molecular Weight: | 194.23 |
Molecular Formula: | C10H14N2O2 |
Canonical SMILES: | CC(C)CNC1=CC=CC=C1[N+](=O)[O-] |
InChI: | InChI=1S/C10H14N2O2/c1-8(2)7-11-9-5-3-4-6-10(9)12(13)14/h3-6,8,11H,7H2,1-2H3 |
InChI Key: | XLGCTQLWXUOYSE-UHFFFAOYSA-N |
LogP: | 3.25890 |
Publication Number | Title | Priority Date |
KR-20190075095-A | Pharmaceutical compound | 20161018 |
JP-2018516238-A | Indoleamine-2,3-dioxygenase inhibitors for the treatment of cancer and methods of their use | 20150403 |
JP-2018519245-A | Indoleamine-2,3-dioxygenase inhibitors for the treatment of cancer and methods of their use | 20150403 |
KR-20170134980-A | Inhibitor of indoleamine-2,3-dioxygenase for the treatment of cancer | 20150403 |
KR-20170134981-A | Inhibitor of indoleamine-2,3-dioxygenase for the treatment of cancer | 20150403 |
Complexity: | 189 |
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: | 3 |
Topological Polar Surface Area: | 57.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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