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| CAS No.: | 1159818-57-1 |
|---|---|
| Name: | 6-broMopyriMidin-4-aMine |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C4H4BrN3 |
| Molecular Weight: | 174 |
| Synonyms: | 查看更多英文别名"> 4-Bromo-6-aminopyrimidine;6-Bromopyrimidin-4-amine;4-Amino-6-bromopyrimidine;6-BROMO-PYRIMIDIN-4-YLAMINE;6-BROMO-4-AMINOPYRIMIDINE;6-BROMO-PYRIMIDINE-4-YLAMINE;查看更多英文别名 |
| EINECS: | 815-704-0 |
| Density: | 1.844 g/cm3 |
| Boiling Point: | 303.2 °C at 760 mmHg |
| Flash Point: | 137.2 °C |
| PSA: | 51.80000 |
| LogP: | 1.40250 |
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- Total:27 Page 1 of 1 1
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Specification
The CAS register number of 6-Bromo-4-aminopyrimidine is 1159818-57-1. The systematic name about this chemical is 6-Bromopyrimidin-4-amine. The molecular formula about this chemical is C4H4BrN3 and the molecular weight is 173.99986.
Physical properties about 6-Bromo-4-aminopyrimidine are: (1)ACD/LogP: 0.91; (2)ACD/LogD (pH 5.5): 0.91; (3)ACD/LogD (pH 7.4): 0.91; (4)ACD/BCF (pH 5.5): 2.91; (5)ACD/BCF (pH 7.4): 2.91; (6)ACD/KOC (pH 5.5): 74.81; (7)ACD/KOC (pH 7.4): 74.83; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)Polar Surface Area: 51.8 Å2; (11)Index of Refraction: 1.648; (12)Molar Refractivity: 34.36 cm3; (13)Molar Volume: 94.3 cm3; (14)Polarizability: 13.62x10-24cm3; (15)Surface Tension: 68.9 dyne/cm; (16)Density: 1.844 g/cm3; (17)Flash Point: 137.2 °C; (18)Enthalpy of Vaporization: 54.34 kJ/mol; (19)Boiling Point: 303.2 °C at 760 mmHg; (20)Vapour Pressure: 0.000946 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(ncnc1Br)N
(2)InChI: InChI=1/C4H4BrN3/c5-3-1-4(6)8-2-7-3/h1-2H,(H2,6,7,8)
(3)InChIKey: ZHTZYBZECZEMFQ-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C4H4BrN3/c5-3-1-4(6)8-2-7-3/h1-2H,(H2,6,7,8)
(5)Std. InChIKey: ZHTZYBZECZEMFQ-UHFFFAOYSA-N