| Identification | |
| Name: | Benzoic acid,4-(2-amino-5-pyrimidinyl)- |
| Synonyms: | 4-(2-Aminopyrimidin-5-yl)benzoicacid; |
| CAS: | 222987-21-5 |
| Molecular Formula: | C11H9N3O2 |
| Molecular Weight: | 215.21 |
| InChI: | InChI=1/C11H9N3O2/c12-11-13-5-9(6-14-11)7-1-3-8(4-2-7)10(15)16/h1-6H,(H,15,16)(H2,12,13,14) |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.379 g/cm3 |
| Refractive index: | 1.668 |
| Specification: |
The 4-(2-Aminopyrimidin-5-yl)benzoic acid with the CAS number 222987-21-5 is also called Benzoic acid,4-(2-amino-5-pyrimidinyl)-. Its molecular formula is C11H9N3O2. This chemical is a kind of organics. It should be stored in dry and cool environment. The properties of the 4-(2-Aminopyrimidin-5-yl)benzoic acid are: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.29; (4)ACD/LogD (pH 7.4): -1.62; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.81; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.32 Å2; (13)Index of Refraction: 1.668; (14)Molar Refractivity: 58.19 cm3; (15)Molar Volume: 155.9 cm3; (16)Polarizability: 23.06×10-24cm3; (17)Surface Tension: 73.6 dyne/cm; (18)Enthalpy of Vaporization: 84.41 kJ/mol; (19)Vapour Pressure: 5.99×10-12 mmHg at 25°C. You can still convert the following datas into molecular structure: |
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