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91-40-7

91-40-7 structural image
Product Name: N-Phenylanthranilic acid
Formula: C13H11NO2
Synonyms: 2-(Phenylamino)benzoic acid;Diphenylamine-2,2′-dicarboxylic acid;Diphenylamine-2-carboxylic acid;DpC;N-Phenylanthranilic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid; [Merck Index] Off-white powder; [Alfa Aesar MSDS]
Vapor Pressure 0.00000238 [mmHg]
Collision Cross Section 144.5 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Chemical Classes Nitrogen Compounds -> Aminobenzoic Acids

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 213.23 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 213.078978594 g/mol
Monoisotopic Mass 213.078978594 g/mol
Topological Polar Surface Area 49.3 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 236
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Fenamic acid is an aminobenzoic acid that is the N-phenyl derivative of anthranilic acid. It acts as a parent skeleton for the synthesis of several non-steroidal anti-inflammatory drugs. It has a role as a membrane transport modulator. It is a secondary amino compound and an aminobenzoic acid. It is functionally related to an anthranilic acid.

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