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23049-93-6

Basic Information
CAS No.: 23049-93-6
Name: ENFENAMIC ACID
Article Data: 4
Molecular Structure:
Molecular Structure of 23049-93-6 (ENFENAMIC ACID)
Formula: C15H15NO2
Molecular Weight: 241.29
Synonyms: 2-((2-Phenylethyl)amino)-benzoicaci;
Density: 1.214 g/cm3
Melting Point: 182-183℃
Boiling Point: 452.3 °C at 760 mmHg
Flash Point: 227.4 °C
PSA: 49.33000
LogP: 3.11240
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    Benzoic acid,2-[(2-phenylethyl)amino]- cas 23049-93-6Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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    ENFENAMIC ACID

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Specification

The Benzoic acid,2-[(2-phenylethyl)amino]-, with the CAS registry number of 23049-93-6, is also known as 2-((2-Phenylethyl)amino)-benzoicaci. This chemical's molecular formula is C15H15NO2 and molecular weight is 241.29. What's more, its IUPAC name is 2-(Phenethylamino)benzoic acid. This chemical's classification codes are Analgesics; Analgesics, Non-Narcotic; Anti-Inflammatory Agents; Anti-inflammatory agents, non-steroidal; Antirheumatic Agents; Drug / Therapeutic Agent; Hematologic Agents; Mutation data; Peripheral Nervous System Agents; Platelet aggregation inhibitors; Sensory System Agents.

Physical properties about the Benzoic acid,2-[(2-phenylethyl)amino]- are: (1)ACD/LogP: 4.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.07; (4)ACD/LogD (pH 7.4): 1.63; (5)ACD/BCF (pH 5.5): 55.1; (6)ACD/BCF (pH 7.4): 2.01; (7)ACD/KOC (pH 5.5): 230.09; (8)ACD/KOC (pH 7.4): 8.38; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 71.91 cm3; (15)Molar Volume: 198.6 cm3; (16)Surface Tension: 54.7 dyne/cm; (17)Density: 1.214 g/cm3; (18)Flash Point: 227.4 °C; (19)Enthalpy of Vaporization: 74.98 kJ/mol; (20)Boiling Point: 452.3 °C at 760 mmHg; (21)Vapour Pressure: 5.7E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c2ccccc2NCCc1ccccc1
(2) InChI: InChI=1/C15H15NO2/c17-15(18)13-8-4-5-9-14(13)16-11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2,(H,17,18)
(3) InChIKey: HLNLBEFKHHCAMV-UHFFFAOYAM

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 575mg/kg (575mg/kg)   "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989Vol. 11, Pg. 561, 1989.
mouse LD50 oral 2gm/kg (2000mg/kg)   Drugs of the Future. Vol. 3, Pg. 618, 1978.