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CAS No.: | 54409-13-1 |
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Name: | 6-(METHYLAMINO)-2-PYRAZINECARBOXYLIC ACID |
Molecular Structure: | |
Formula: | C6H7N3O2 |
Molecular Weight: | 153.14 |
Synonyms: | Pyrazinecarboxylicacid, 6-(methylamino)- (9CI);6-Methylaminopyrazine-2-carboxylic acid;6-(methylamino)pyrazine-2-carboxylic acid; |
Density: | 1.419 g/cm3 |
Melting Point: | 242-245°C |
Boiling Point: | 382.4 °C at 760 mmHg |
Flash Point: | 185.1 °C |
Hazard Symbols: | Xi |
Risk Codes: | 43 |
Safety: | 36/37 |
PSA: | 75.11000 |
LogP: | 0.28950 |
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The 2-Pyrazinecarboxylicacid, 6-(methylamino)-, with the CAS registry number 54409-13-1, has the systematic name of 6-(methylamino)pyrazine-2-carboxylic acid. And the molecular formula of this chemical is C6H7N3O2. It is a kind of organics, and should be stored in the dry and cool environment.
The physical properties of 2-Pyrazinecarboxylicacid, 6-(methylamino)- are as following: (1)ACD/LogP: -1.14; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 55.32 Å2; (11)Index of Refraction: 1.642; (12)Molar Refractivity: 38.97 cm3; (13)Molar Volume: 107.8 cm3; (14)Polarizability: 15.45×10-24cm3; (15)Surface Tension: 74.2 dyne/cm; (16)Density: 1.419 g/cm3; (17)Flash Point: 185.1 °C; (18)Enthalpy of Vaporization: 66.54 kJ/mol; (19)Boiling Point: 382.4 °C at 760 mmHg; (20)Vapour Pressure: 1.57E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1nc(NC)cnc1
(2)InChI: InChI=1/C6H7N3O2/c1-7-5-3-8-2-4(9-5)6(10)11/h2-3H,1H3,(H,7,9)(H,10,11)
(3)InChIKey: OAJBFQZGHAGOAJ-UHFFFAOYAX