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| CAS No.: | 392326-81-7 |
|---|---|
| Name: | 4-(4-BROMOPHENYL)PYRIMIDIN-2-AMINE |
| Molecular Structure: | |
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| Formula: | C10H8BrN3 |
| Molecular Weight: | 250.098 |
| Synonyms: | 4-(4-Bromophenyl)pyrimidin-2-amine;2-Amino-4-(4-bromophenyl)pyrimidine; |
| Density: | 1.566 g/cm3 |
| Melting Point: | 204-207℃ |
| Boiling Point: | 449.4 °C at 760 mmHg |
| Flash Point: | 225.6 °C |
| Hazard Symbols: |
 Xi
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| PSA: | 51.80000 |
| LogP: | 3.06950 |
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- Total:24 Page 1 of 1 1
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Specification
The 2-Pyrimidinamine,4-(4-bromophenyl)- is an organic compound with the formula C10H8BrN3. The IUPAC name of this chemical is 4-(4-Bromophenyl)pyrimidin-2-amine. With the CAS registry number 392326-81-7, it is also named as 2-Amino-4-(4-bromophenyl)pyrimidine. Besides, its molecular weight is 250.09.
The physical properties of 2-Pyrimidinamine,4-(4-bromophenyl)- are: (1)ACD/LogP: 2.44; (2)ACD/LogD (pH 5.5): 2.44; (3)ACD/LogD (pH 7.4): 2.44; (4)ACD/BCF (pH 5.5): 41.72; (5)ACD/BCF (pH 7.4): 42.22; (6)ACD/KOC (pH 5.5): 501.17; (7)ACD/KOC (pH 7.4): 507.18; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 29.02 Å2; (12)Index of Refraction: 1.66; (13)Molar Refractivity: 58.95 cm3; (14)Molar Volume: 159.6 cm3; (15)Polarizability: 23.37×10-24 cm3; (16)Surface Tension: 60.5 dyne/cm; (17)Density: 1.566 g/cm3; (18)Flash Point: 225.6 °C; (19)Enthalpy of Vaporization: 70.81 kJ/mol; (20)Boiling Point: 449.4 °C at 760 mmHg; (21)Vapour Pressure: 2.87E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(cc1)c2nc(ncc2)N;
(2)InChI: InChI=1/C10H8BrN3/c11-8-3-1-7(2-4-8)9-5-6-13-10(12)14-9/h1-6H,(H2,12,13,14)
(3)InChIKey: ULMOYCJVOJTPCJ-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C10H8BrN3/c11-8-3-1-7(2-4-8)9-5-6-13-10(12)14-9/h1-6H,(H2,12,13,14)
(5)Std. InChIKey: ULMOYCJVOJTPCJ-UHFFFAOYSA-N