N-Benzyl-2-nitroaniline - CAS 5729-06-6
Catalog: |
BB029631 |
Product Name: |
N-Benzyl-2-nitroaniline |
CAS: |
5729-06-6 |
Synonyms: |
2-nitro-N-(phenylmethyl)aniline; N-benzyl-2-nitroaniline |
IUPAC Name: | N-benzyl-2-nitroaniline |
Description: | N-Benzyl-2-nitroaniline (CAS# 5729-06-6) is a useful research chemical. |
Molecular Weight: | 228.25 |
Molecular Formula: | C13H12N2O2 |
Canonical SMILES: | C1=CC=C(C=C1)CNC2=CC=CC=C2[N+](=O)[O-] |
InChI: | InChI=1S/C13H12N2O2/c16-15(17)13-9-5-4-8-12(13)14-10-11-6-2-1-3-7-11/h1-9,14H,10H2 |
InChI Key: | LAOUKNRSKBRAMQ-UHFFFAOYSA-N |
Boiling Point: | 382.3 °C at 760 mmHg |
Density: | 1.258 g/cm3 |
LogP: | 3.80310 |
Publication Number | Title | Priority Date |
CN-111704579-A | Benzimidazole compound synthesis method based on iron-catalyzed redox coupling reaction | 20200409 |
CN-109071446-A | The organic reaction carried out in aqueous solution in the presence of hydroxy alkyl (alkyl) cellulose or alkylcellulose | 20160129 |
EP-3408258-A1 | Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose | 20160129 |
EP-3408258-B1 | Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose | 20160129 |
US-2017217850-A1 | Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose | 20160129 |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.08987763 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.08987763 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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