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| CAS No.: | 849353-34-0 |
|---|---|
| Name: | 5-AMINO-4-BROMOPYRIMIDINE |
| Molecular Structure: | |
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| Formula: | C4H4BrN3 |
| Molecular Weight: | 174 |
| Synonyms: | 5-Amino-4-bromopyrimidine; |
| Density: | 1.844 g/cm3 |
| Boiling Point: | 282.2 °C at 760 mmHg |
| Flash Point: | 124.5 °C |
| PSA: | 51.80000 |
| LogP: | 1.40250 |
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Specification
The 5-Pyrimidinamine,4-bromo-, with the CAS registry number 849353-34-0, is also known as 5-Amino-4-bromopyrimidine. This chemical's molecular formula is C4H4BrN3 and molecular weight is 174. What's more, its systematic name is called 4-Bromopyrimidin-5-amine.
Physical properties about 5-Pyrimidinamine,4-bromo- are: (1) # of Rule of 5 Violations: 0; (2) ACD/BCF (pH 5.5): 1; (3) ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 15.22; (5) ACD/KOC (pH 7.4): 15.22; (6) #H bond acceptors: 3; (7) #H bond donors: 2; (8) #Freely Rotating Bonds: 1; (9) Polar Surface Area: 51.8 Å2; (10) Index of Refraction: 1.648; (11) Molar Refractivity: 34.36 cm3; (12) Molar Volume: 94.3 cm3; (13) Surface Tension: 68.9 dyne/cm; (14) Density: 1.844 g/cm3; (15) Flash Point: 124.5 °C; (16) Enthalpy of Vaporization: 52.1 kJ/mol; (17) Boiling Point: 282.2 °C at 760 mmHg; (18) Vapour Pressure: 0.00341 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1c(c(ncn1)Br)N
(2) InChI: InChI=1/C4H4BrN3/c5-4-3(6)1-7-2-8-4/h1-2H,6H2
(3) InChIKey: NXYSMLJPDPVHOE-UHFFFAOYAQ