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3060-50-2

Basic Information
CAS No.: 3060-50-2
Name: 2,2-Diphenylglycine
Article Data: 18
Molecular Structure:
Molecular Structure of 3060-50-2 (2,2-Diphenylglycine)
Formula: C14H13NO2
Molecular Weight: 227.263
Synonyms: Glycine,2,2-diphenyl- (6CI,7CI,8CI);2,2-Diphenylglycine;2-Amino-2,2-diphenylaceticacid;Amino(diphenyl)acetic acid;NSC 33392;α,α-Diphenylglycine;α-Aminodiphenylacetic acid;
EINECS: 221-299-6
Density: 1.231 g/cm3
Melting Point: 245-247 °C
Boiling Point: 383.5 °C at 760 mmHg
Flash Point: 185.7 °C
Solubility: It is sparingly soluble in water.
Appearance: white powder
Safety: 24/25
PSA: 63.32000
LogP: 2.67380
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Specification

The Benzeneacetic acid, α-amino-α-phenyl-, with the CAS registry number 3060-50-2, is also known as Amino(diphenyl)acetic acid. It belongs to the product categories of Peptide Synthesis; Phenylglycine Derivatives; Unnatural Amino Acid Derivatives. Its EINECS registry number is 221-299-6. This chemical's molecular formula is C14H13NO2 and molecular weight is 227.26. What's more, its IUPAC name is called 2-Amino-2,2-diphenylacetic acid. It is white powder and the classification code is Reproductive Effect. When you are dealing with this chemical, you should avoid contacting with skin and eyes.

Physical properties about Benzeneacetic acid, α-amino-α-phenyl- are: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.55; (4)ACD/LogD (pH 7.4): 0.54; (5)ACD/BCF (pH 5.5): 1 ; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.43; (8)ACD/KOC (pH 7.4): 3.39; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 64.87 cm3; (15)Molar Volume: 184.5 cm3; (16)Surface Tension: 54.2 dyne/cm; (17)Density: 1.231 g/cm3; (18)Flash Point: 185.7 °C; (19)Enthalpy of Vaporization: 66.67 kJ/mol; (20)Boiling Point: 383.5 °C at 760 mmHg; (21)Vapour Pressure: 1.44E-06 mmHg at 25 °C; (22)Melting Point: 245-247 °C.

Preparation of Benzeneacetic acid, α-amino-α-phenyl-: this chemical can be prepared by 5,5-Diphenyl-imidazolidine-2,4-dione. This reaction needs reagent NaOH at temperature of 180-185 °C. The reaction time is 27 hours. The yield is 72 %.

Uses of Benzeneacetic acid, α-amino-α-phenyl-: it is used to produce other chemicals. For example, it is used to produce 2-(4-Methoxyphenyl)-4,4-diphenyl-5(4H)-oxazolone. The yield is 81 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(N)(c1ccccc1)c2ccccc2
(2) InChI: InChI=1/C14H13NO2/c15-14(13(16)17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,15H2,(H,16,17)
(3) InChIKey: YBONNYNNFBAKLI-UHFFFAOYAX