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| CAS No.: | 6974-78-3 |
|---|---|
| Name: | 8-BROMOADENINE |
| Article Data: | 18 |
| Molecular Structure: | |
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| Formula: | C5H4N5Br |
| Molecular Weight: | 214.024 |
| Synonyms: | 1H-Purin-6-amine,8-bromo- (9CI);Adenine, 8-bromo- (7CI,8CI);6-Amino-8-bromopurine;8-Bromo-9H-purin-6-amine;8-Bromoadenine;NSC 21697; |
| EINECS: | 230-225-1 |
| Density: | 2.14 g/cm3 |
| Melting Point: | >250℃ |
| Boiling Point: | 497.5 °C at 760 mmHg |
| Flash Point: | 254.7 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 80.48000 |
| LogP: | 1.27880 |
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- Total:29 Page 1 of 1 1
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Specification
The CAS register number of 8-Bromoadenine is 6974-78-3. It also can be called as 9H-Purin-6-amine,8-bromo- and the IUPAC name about this chemical is 8-bromo-7H-purin-6-amine. The molecular formula about this chemical is C5H4N5Br and the molecular weight is 214.02. It belongs to the Nucleotides and Nucleic Acids. This chemical can affect DNA repair and it can be used for biochemical research.
Physical properties about 8-Bromoadenine are: (1)ACD/LogP: 0.34; (2)ACD/LogD (pH 5.5): 0.33; (3)ACD/LogD (pH 7.4): -0.01; (4)ACD/BCF (pH 5.5): 1.04; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 35.47; (7)ACD/KOC (pH 7.4): 16.46; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)Polar Surface Area: 46.84Å2; (11)Index of Refraction: 1.851; (12)Molar Refractivity: 44.72 cm3; (13)Molar Volume: 100 cm3; (14)Polarizability: 17.73x10-24cm3; (15)Surface Tension: 117.8 dyne/cm; (16)Flash Point: 254.7 °C; (17)Enthalpy of Vaporization: 76.55 kJ/mol; (18)Boiling Point: 497.5 °C at 760 mmHg; (19)Vapour Pressure: 4.92E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc2nc1ncnc(c1n2)N
(2)InChI: InChI=1/C5H4BrN5/c6-5-10-2-3(7)8-1-9-4(2)11-5/h1H,(H3,7,8,9,10,11)
(3)InChIKey: FVXHPCVBOXMRJP-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C5H4BrN5/c6-5-10-2-3(7)8-1-9-4(2)11-5/h1H,(H3,7,8,9,10,11)
(5)Std. InChIKey: FVXHPCVBOXMRJP-UHFFFAOYSA-N