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CAS No.: | 3684-12-6 |
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Name: | ANILINO(PHENYL)ACETIC ACID |
Article Data: | 17 |
Molecular Structure: | |
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: | C |
PSA: | 49.33000 |
LogP: | 2.99740 |
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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. |