2-Aminodiphenylamine - CAS 534-85-0
Catalog: |
BB028247 |
Product Name: |
2-Aminodiphenylamine |
CAS: |
534-85-0 |
Synonyms: |
2-N-phenylbenzene-1,2-diamine |
IUPAC Name: | 2-N-phenylbenzene-1,2-diamine |
Description: | N-Phenyl-o-phenylenediamine (CAS# 534-85-0) is a useful research chemical. |
Molecular Weight: | 184.24 |
Molecular Formula: | C12H12N2 |
Canonical SMILES: | C1=CC=C(C=C1)NC2=CC=CC=C2N |
InChI: | InChI=1S/C12H12N2/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,13H2 |
InChI Key: | NFCPRRWCTNLGSN-UHFFFAOYSA-N |
Boiling Point: | 108 °C / 0.4 mmHg |
Purity: | 98.0% |
Density: | 1.167 g/cm3 |
MDL: | MFCD00007685 |
LogP: | 3.66660 |
GHS Hazard Statement: | H302 (97.47%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22218496 | 20120221 | Some cyclization reactions of 1,3-diphenylbenzo[e][1,2,4]triazin-7(1H)-one: preparation and computational analysis of non symmetrical zwitterionic biscyanines | Organic & biomolecular chemistry |
21218053 | 20100701 | Bcl-2 expression alters the mitochondrial tri carboxyl Acid pathway in hepatic ischemic and reperfusion induced necrosis and apoptosis in rat liver | Indian journal of pharmaceutical sciences |
19240909 | 20090314 | A colorimetric sensor for Cu2+ in aqueous solution based on metal ion-induced deprotonation: deprotonation/protonation mediated by Cu2+-ligand interactions | Dalton transactions (Cambridge, England : 2003) |
18489148 | 20080612 | Chemical oxidative polymerization of aminodiphenylamines | The journal of physical chemistry. B |
16180871 | 20051003 | Molecular and electronic structure of five-coordinate complexes of iron(II/III) containing o-diiminobenzosemiquinonate(1-) pi radical ligands | Inorganic chemistry |
Complexity: | 164 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.100048391 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.100048391 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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Amines and Anilines
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