N1-(4-Nitrobenzyl)-1,2-benzenediamine - CAS 7288-53-1
Catalog: |
BB034717 |
Product Name: |
N1-(4-Nitrobenzyl)-1,2-benzenediamine |
CAS: |
7288-53-1 |
Synonyms: |
N2-[(4-nitrophenyl)methyl]benzene-1,2-diamine; 2-N-[(4-nitrophenyl)methyl]benzene-1,2-diamine |
IUPAC Name: | 2-N-[(4-nitrophenyl)methyl]benzene-1,2-diamine |
Description: | N1-(4-Nitrobenzyl)-1,2-benzenediamine (CAS# 7288-53-1 ) is a useful research chemical. |
Molecular Weight: | 243.26 |
Molecular Formula: | C13H13N3O2 |
Canonical SMILES: | C1=CC=C(C(=C1)N)NCC2=CC=C(C=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C13H13N3O2/c14-12-3-1-2-4-13(12)15-9-10-5-7-11(8-6-10)16(17)18/h1-8,15H,9,14H2 |
InChI Key: | BULXRVNHQUYFRY-UHFFFAOYSA-N |
LogP: | 3.96650 |
Publication Number | Title | Priority Date |
US-3423413-A | 1-hydroxy or chloro benzyl-2-(-4 methyl,ethyl or hydroxyethyl-piperazino methyl) benzimidazoles | 19640723 |
Complexity: | 272 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.100776666 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.100776666 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 83.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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