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| CAS No.: | 56621-91-1 |
|---|---|
| Name: | 2-Bromopyrimidin-5-amine |
| Molecular Structure: | |
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| Formula: | C4H4BrN3 |
| Molecular Weight: | 173.9987 |
| Synonyms: | 5-Amino-2-bromopyrimidine;5-pyrimidinamine, 2-bromo-;2-bromopyrimidine-5-ylamine; |
| Density: | 1.844 g/cm3 |
| Melting Point: | 182-183 °C(Solv: benzene (71-43-2)) |
| Boiling Point: | 364.137 °C at 760 mmHg |
| Flash Point: | 174.024 °C |
| PSA: | 51.80000 |
| LogP: | 1.40250 |
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- Total:35 Page 1 of 1 1
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Specification
The CAS register number of 2-Bromopyrimidin-5-amine is 56621-91-1. It also can be called as 5-pyrimidinamine, 2-bromo- and the systematic name about this chemical is 2-bromopyrimidin-5-amine. The molecular formula about this chemical is C4H4BrN3 and the molecular weight is 173.9987.
Physical properties about 2-Bromopyrimidin-5-amine are: (1)ACD/LogP: 0.14; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 9; (5)ACD/KOC (pH 7.4): 9; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 51.8Å2; (10)Index of Refraction: 1.649; (11)Molar Refractivity: 34.362 cm3; (12)Molar Volume: 94.346 cm3; (13)Polarizability: 13.622x10-24cm3; (14)Surface Tension: 68.982 dyne/cm; (15)Enthalpy of Vaporization: 61.028 kJ/mol; (16)Boiling Point: 364.137 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cnc(Br)nc1
(2)InChI: InChI=1/C4H4BrN3/c5-4-7-1-3(6)2-8-4/h1-2H,6H2
(3)InChIKey: BTXWPEMYVHUOPW-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C4H4BrN3/c5-4-7-1-3(6)2-8-4/h1-2H,6H2
(5)Std. InChIKey: BTXWPEMYVHUOPW-UHFFFAOYSA-N