2-Aminobenzophenone - CAS 2835-77-0

Name: 2-Aminobenzophenone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB019825
Product Name:	2-Aminobenzophenone
CAS:	2835-77-0
Synonyms:	2-Benzoylaniline; o-Benzoylaniline; o-Aminobenzophenone; Nepafenac Impurity A

Technical Data

IUPAC Name:	(2-aminophenyl)-phenylmethanone
Description:	2-Aminobenzophenone is a derivative of Benzophenone, which is used in the manufacturing of antihistamines, hypnotics, insecticides. 2-Aminobenzophenone was shown to exhibit modulation activity of GABAA receptor-mediated currents in isolated purkinje neurons. 2-Aminobenzophenone is also an impurity of Nepafenac, a COX-2 inhibitor used as an anti-inflammatory agent.
Molecular Weight:	197.23
Molecular Formula:	C13H11NO
Canonical SMILES:	C1=CC=C(C=C1)C(=O)C2=CC=CC=C2N
InChI:	InChI=1S/C13H11NO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9H,14H2
InChI Key:	MAOBFOXLCJIFLV-UHFFFAOYSA-N
Boiling Point:	280 °C
Melting Point:	105-108 °C
Purity:	95%
Density:	1.161 g/cm³
Appearance:	Yellow-gold fine crystalline powder
Storage:	Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00007713
LogP:	3.08100

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
22277278	20120215	Camphorsulfonic acid catalysed facile tandem double Friedlander annulation protocol for the synthesis of phenoxy linked bisquinoline derivatives and discovery of antitubercular agents	Bioorganic & medicinal chemistry letters
22412858	20120101	Gibberellin biosynthetic inhibitors make human malaria parasite Plasmodium falciparum cells swell and rupture to death	PloS one
22685432	20120101	Triarylmethanes, a new class of cx50 inhibitors	Frontiers in pharmacology
21851087	20111013	Dihydroquinazolines as a novel class of Trypanosoma brucei trypanothione reductase inhibitors: discovery, synthesis, and characterization of their binding mode by protein crystallography	Journal of medicinal chemistry
21855182	20111001	Synthesis of 3-heteroarylthioquinoline derivatives and their in vitro antituberculosis and cytotoxicity studies	European journal of medicinal chemistry

Complexity:	221
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	197.084063974
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	197.084063974
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2