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CAS No.: | 412277-94-2 |
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Name: | Pyrazinecarboxamide, 5-(hydroxymethyl)- (9CI) |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C6H7N3O2 |
Molecular Weight: | 153.14 |
Synonyms: | Pyrazinecarboxamide,5-(hydroxymethyl)- (9CI);5-(hydroxymethyl)pyrazine-2-carboxamide;5-(Hydroxymethyl)pyrazine-2-carboxamide;2-Pyrazinecarboxamide, 5-(hydroxymethyl)-; |
Density: | 1.413 g/cm3 |
Boiling Point: | 404.953 °C at 760 mmHg |
Flash Point: | 198.709 °C |
PSA: | 89.10000 |
LogP: | -0.23190 |
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The 2-Pyrazinecarboxamide,5-(hydroxymethyl)-, with the CAS registry number 412277-94-2, has the systematic name of 5-(hydroxymethyl)pyrazine-2-carboxamide. It belongs to the product categories of Aldehyde and Piperidine. And the molecular formula of this chemical is C6H7N3O2.
The physical properties of 2-Pyrazinecarboxamide,5-(hydroxymethyl)- are as following: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 7.83; (5)ACD/KOC (pH 7.4): 7.83; (6)#H bond acceptors: 5; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 89.1 Å2; (10)Index of Refraction: 1.615; (11)Molar Refractivity: 37.817 cm3; (12)Molar Volume: 108.398 cm3; (13)Polarizability: 14.992×10-24cm3; (14)Surface Tension: 79.365 dyne/cm; (15)Density: 1.413 g/cm3; (16)Flash Point: 198.709 °C; (17)Enthalpy of Vaporization: 69.224 kJ/mol; (18)Boiling Point: 404.953 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(ncc(n1)C(=O)N)CO
(2)InChI: InChI=1/C6H7N3O2/c7-6(11)5-2-8-4(3-10)1-9-5/h1-2,10H,3H2,(H2,7,11)
(3)InChIKey: MHGKQVAVEDQFPN-UHFFFAOYAG