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CAS No.: | 45695-56-5 |
---|---|
Name: | 2-Pyrimidinecarboximidamide (9CI) |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C5H6N4 |
Molecular Weight: | 122.129 |
Synonyms: | 2-Pyrimidinecarboxamidine(6CI);2-Amidinopyrimidine; |
Density: | 1.4 g/cm3 |
Melting Point: | 125-126℃ |
Boiling Point: | 287.35 °C at 760 mmHg |
Flash Point: | 127.585 °C |
PSA: | 75.65000 |
LogP: | 0.56070 |
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This chemical is called 2-Pyrimidinecarboximidamide, and its IUPAC name is pyrimidine-2-carboximidamide. With the molecular formula of C5H6N4, its molecular weight is 122.13. The CAS registry number of this chemical is 45695-56-5. Additionally, its product category is Pyrimidine.
Other characteristics of the 2-Pyrimidinecarboximidamide can be summarised as followings: (1)ACD/LogP: -0.43; (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): 4; (6)ACD/KOC (pH 7.4): 4; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 75.65 Å2; (11)Index of Refraction: 1.68; (12)Molar Refractivity: 32.972 cm3; (13)Molar Volume: 87.236 cm3; (14)Polarizability: 13.071×10-24cm3; (15)Surface Tension: 63.688 dyne/cm; (16)Density: 1.4 g/cm3; (17)Flash Point: 127.585 °C; (18)Enthalpy of Vaporization: 52.652 kJ/mol; (19)Boiling Point: 287.35 °C at 760 mmHg; (20)Vapour Pressure: 0.002 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: [N@H]=C(N)c1ncccn1
2.InChI: InChI=1/C5H6N4/c6-4(7)5-8-2-1-3-9-5/h1-3H,(H3,6,7)|
3.InChIKey: SZSKAHAHBFDQKN-UHFFFAOYAO