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3684-12-6

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Basic Information
CAS No.: 3684-12-6
Name: ANILINO(PHENYL)ACETIC ACID
Article Data: 17
Molecular Structure:
Molecular Structure of 3684-12-6 (ANILINO(PHENYL)ACETIC ACID)
Formula: C14H13NO2
Molecular Weight: 227.263
Synonyms: Glycine,N,2-diphenyl- (6CI,7CI,8CI);2-Anilino-2-phenylacetic acid;N,2-Diphenylglycine;N,a-Diphenylglycine;NSC 3335;
Density: 1.252 g/cm3
Boiling Point: 412.3 °C at 760 mmHg
Flash Point: 203.2 °C
Hazard Symbols: CorrosiveC
PSA: 49.33000
LogP: 2.99740
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Specification

The Benzeneacetic acid, a-(phenylamino)-, with the CAS registry number 3684-12-6, has the systematic name of phenyl(phenylamino)acetic acid. It is a kind of corrosive chemical. And the molecular formula of this chemical is C14H13NO2.

The physical properties of Benzeneacetic acid, a-(phenylamino)- are as following: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.33; (4)ACD/LogD (pH 7.4): -1.15; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.2; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.654; (14)Molar Refractivity: 66.54 cm3; (15)Molar Volume: 181.4 cm3; (16)Polarizability: 26.38×10-24cm3; (17)Surface Tension: 56.9 dyne/cm; (18)Density: 1.252 g/cm3; (19)Flash Point: 203.2 °C; (20)Enthalpy of Vaporization: 70.11 kJ/mol; (21)Boiling Point: 412.3 °C at 760 mmHg; (22)Vapour Pressure: 1.54E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(Nc1ccccc1)c2ccccc2
(2)InChI: InChI=1/C14H13NO2/c16-14(17)13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10,13,15H,(H,16,17)
(3)InChIKey: NFEVMRNCAGDLBK-UHFFFAOYAN

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 56, 1954.