N-Butyl-4-nitroaniline - CAS 58259-34-0
Catalog: |
BB029991 |
Product Name: |
N-Butyl-4-nitroaniline |
CAS: |
58259-34-0 |
Synonyms: |
N-butyl-4-nitroaniline; N-butyl-4-nitroaniline |
IUPAC Name: | N-butyl-4-nitroaniline |
Description: | N-Butyl-4-nitroaniline (CAS# 58259-34-0) is a useful research chemical. |
Molecular Weight: | 194.23 |
Molecular Formula: | C10H14N2O2 |
Canonical SMILES: | CCCCNC1=CC=C(C=C1)[N+](=O)[O-] |
InChI: | InChI=1S/C10H14N2O2/c1-2-3-8-11-9-4-6-10(7-5-9)12(13)14/h4-7,11H,2-3,8H2,1H3 |
InChI Key: | KCTYPOBEIDJYGF-UHFFFAOYSA-N |
MDL: | MFCD00024635 |
LogP: | 3.40300 |
Publication Number | Title | Priority Date |
EP-2870143-A1 | Triazole compounds as antivirals | 20120706 |
WO-2014006066-A1 | Triazole compounds as antivirals | 20120706 |
FR-2913015-A1 | New secondary para-phenylenediamine compounds useful as an oxidation base for oxidation hair-coloring | 20070226 |
JP-2003081934-A | Method for producing 4-nitroaniline derivative | 20010910 |
JP-2815218-B2 | Pyrimidinedione derivatives and antiarrhythmic agents containing the same | 19900413 |
Complexity: | 172 |
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: | 4 |
Topological Polar Surface Area: | 57.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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