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Name |
2-Pyrazinecarboxylicacid, 5-amino-6-bromo- |
EINECS | N/A |
CAS No. | 887352-34-3 | Density | 2.039 g/cm3 |
PSA | 89.10000 | LogP | 1.10070 |
Solubility | N/A | Melting Point |
>250°C (dec.) |
Formula | C5H4BrN3O2 | Boiling Point | 429.4 °C at 760 mmHg |
Molecular Weight | 218.01 | Flash Point | 213.5 °C |
Transport Information | N/A | Appearance | pale yellow solid |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Pyrazinecarboxylicacid, 5-amino-6-bromo- (9CI); |
The 2-Pyrazinecarboxylicacid, 5-amino-6-bromo-, with the CAS registry number 887352-34-3, is also known as 2-Amino-3-bromopyrazine-5-carboxylic acid. This chemical's molecular formula is C5H4BrN3O2 and molecular weight is 218.01. What's more, its systematic name is 5-Amino-6-bromopyrazine-2-carboxylic acid.
Physical properties about 2-Pyrazinecarboxylicacid, 5-amino-6-bromo- are: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.38; (4)ACD/LogD (pH 7.4): -2.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.32 Å2; (13)Index of Refraction: 1.699; (14)Molar Refractivity: 41.29 cm3; (15)Molar Volume: 106.8 cm3; (16)Polarizability: 16.36×10-24 cm3; (17)Surface Tension: 95.4 dyne/cm; (18)Density: 2.039 g/cm3; (19)Flash Point: 213.5 °C; (20)Enthalpy of Vaporization: 72.17 kJ/mol; (21)Boiling Point: 429.4 °C at 760 mmHg; (22)Vapour Pressure: 3.9E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1nc(C(=O)O)cnc1N
(2) InChI: InChI=1/C5H4BrN3O2/c6-3-4(7)8-1-2(9-3)5(10)11/h1H,(H2,7,8)(H,10,11)
(3) InChIKey: ZWJHDIXBWPBYGD-UHFFFAOYAU