-
Name
6-METHOXYPYRAZINECARBOXIMIDIC ACID METHYL ESTER
- EINECS
- CAS No. 59484-60-5
- Article Data3
- CAS DataBase
- Density 1.24g/cm3
- Solubility
- Melting Point 100-101 °C
- Formula C7H9 N3 O2
- Boiling Point 235.3°C at 760 mmHg
- Molecular Weight 167.167
- Flash Point 96.1°C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Pyrazinecarboximidicacid, 6-methoxy-, methyl ester (9CI)
- PSA 68.09000
- LogP 0.55670
Methyl 6-methoxypyrazine-2-carboximidoate Specification
This chemical is called Methyl 6-methoxypyrazine-2-carboximidoate, and it can also be named as 2-Pyrazinecarboximidic acid, 6-methoxy-, methyl ester. With the molecular formula of C7H9N3O2, its molecular weight is 167.17. The CAS registry number of this chemical is 59484-60-5.
Other characteristics of the Methyl 6-methoxypyrazine-2-carboximidoate can be summarised as followings: (1)ACD/LogP: 1.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.03; (4)ACD/LogD (pH 7.4): 1.03; (5)ACD/BCF (pH 5.5): 3.58; (6)ACD/BCF (pH 7.4): 3.59; (7)ACD/KOC (pH 5.5): 86.66; (8)ACD/KOC (pH 7.4): 86.85; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 68.09 Å2; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 42.68 cm3; (15)Molar Volume: 134.1 cm3; (16)Polarizability: 16.92×10-24cm3; (17)Surface Tension: 41.1 dyne/cm; (18)Density: 1.24 g/cm3; (19)Flash Point: 96.1 °C; (20)Enthalpy of Vaporization: 45.29 kJ/mol; (21)Boiling Point: 235.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0773 mmHg at 25°C.
Uses of this chemical: The Methyl 6-methoxypyrazine-2-carboximidoate could react with 4-(2-hydroxy-ethyl)-thiosemicarbazide, and obtain the C9H14N6O2S . This reaction needs the solvent of methanol. The yield is 37 %. In addition, this reaction should be taken at the ambient temperature.
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You can still convert the following datas into molecular structure:
1.SMILES: COc1cncc(n1)C(=N)OC
2.InChI: InChI=1/C7H9N3O2/c1-11-6-4-9-3-5(10-6)7(8)12-2/h3-4,8H,1-2H3
3.InChIKey: RCRTVSFDPQCCSK-UHFFFAOYAA
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