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| CAS No.: | 565-07-1 |
|---|---|
| Name: | 2-AMINO-2-PHENYLPROPIONIC ACID |
| Molecular Structure: | |
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| Formula: | C9H11NO2 |
| Molecular Weight: | 165.192 |
| Synonyms: | Alanine,2-phenyl- (6CI,7CI,8CI);(?à)-a-Phenyl-a-alanine;2-Amino-2-phenylpropanoic acid;DL-a-Methyl-a-phenylglycine;DL-a-Phenylalanine;NSC 16591;a-Amino-a-phenylpropionic acid; |
| Density: | 1.197g/cm3 |
| Melting Point: | 295℃ |
| Boiling Point: | 298.5 °C at 760 mmHg |
| Flash Point: | 134.3 °C |
| PSA: | 63.32000 |
| LogP: | 1.64540 |
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Specification
The Benzeneacetic acid, a-amino-a-methyl-, with CAS registry number 565-07-1, belongs to the following product category: Pharmacetical. It has the systematic name of 2-amino-2-phenylpropanoic acid. And the chemical formula of this chemical is C9H11NO2.
Physical properties of Benzeneacetic acid, a-amino-a-methyl-: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.21; (4)ACD/LogD (pH 7.4): -1.21; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 45.1 cm3; (15)Molar Volume: 137.9 cm3; (16)Polarizability: 17.88×10-24cm3; (17)Surface Tension: 49.7 dyne/cm; (18)Density: 1.197 g/cm3; (19)Flash Point: 134.3 °C; (20)Enthalpy of Vaporization: 56.86 kJ/mol; (21)Boiling Point: 298.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000567 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-(benzhydrylidene-amino)-2-phenyl-propionic acid methyl ester. This reaction will need reagent 5 N HCl. The reaction time is 24 hour(s). The yield is about 63%.
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You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(N)(c1ccccc1)C
(2)InChI: InChI=1/C9H11NO2/c1-9(10,8(11)12)7-5-3-2-4-6-7/h2-6H,10H2,1H3,(H,11,12)
(3)InChIKey: HTCSFFGLRQDZDE-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C9H11NO2/c1-9(10,8(11)12)7-5-3-2-4-6-7/h2-6H,10H2,1H3,(H,11,12)
(5)Std. InChIKey: HTCSFFGLRQDZDE-UHFFFAOYSA-N