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| CAS No.: | 82264-50-4 |
|---|---|
| Name: | [(AMINOCARBONYL)AMINO](PHENYL)ACETIC ACID |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C9H10N2O3 |
| Molecular Weight: | 194.19 |
| Synonyms: | Benzeneacetic acid, α-[(aminocarbonyl)amino]-, (±)-;α-((Aminocarbonyl)amino)phenylacetic acid; |
| Density: | 1.351 g/cm3 |
| Melting Point: | 201 - 203 °C |
| Boiling Point: | 388.592 °C at 760 mmHg |
| Flash Point: | 188.814 °C |
| PSA: | 92.42000 |
| LogP: | 1.57180 |
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- Total:2 Page 1 of 1 1
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Specification
The (±)-2-Phenyl-2-ureidoacetic acid, with the CAS registry number 82264-50-4, is also known as α-((Aminocarbonyl)amino)phenylacetic acid. This chemical's molecular formula is C9H10N2O3 and molecular weight is 194.19. What's more, its systematic name is (Carbamoylamino)(phenyl)acetic acid.
Physical properties of (±)-2-Phenyl-2-ureidoacetic acid are: (1)ACD/LogP: 1.018; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.53; (4)ACD/LogD (pH 7.4): -2.66; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 92.42 Å2; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 49.162 cm3; (15)Molar Volume: 143.745 cm3; (16)Polarizability: 19.489×10-24cm3; (17)Surface Tension: 63.7 dyne/cm; (18)Density: 1.351 g/cm3; (19)Flash Point: 188.814 °C; (20)Enthalpy of Vaporization: 67.272 kJ/mol; (21)Boiling Point: 388.592 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(NC(=O)N)c1ccccc1
(2)Std. InChI: InChI=1S/C9H10N2O3/c10-9(14)11-7(8(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,12,13)(H3,10,11,14)
(3)Std. InChIKey: GIOUOHDKHHZWIQ-UHFFFAOYSA-N