2-Pyrazinecarboxamide,5-(hydroxymethyl)- supplier

Name
Pyrazinecarboxamide, 5-(hydroxymethyl)- (9CI)
EINECS
CAS No. 412277-94-2
Article Data1
CAS DataBase
Density 1.413 g/cm³
Solubility
Melting Point
Formula C₆H₇N₃O₂
Boiling Point 404.953 °C at 760 mmHg
Molecular Weight 153.14
Flash Point 198.709 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrazinecarboxamide,5-(hydroxymethyl)- (9CI);5-(hydroxymethyl)pyrazine-2-carboxamide;5-(Hydroxymethyl)pyrazine-2-carboxamide;2-Pyrazinecarboxamide, 5-(hydroxymethyl)-;
PSA 89.10000
LogP -0.23190

2-Pyrazinecarboxamide,5-(hydroxymethyl)- Specification

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

Product Name

Pyrazinecarboxamide, 5-(hydroxymethyl)- (9CI)

2-Pyrazinecarboxamide,5-(hydroxymethyl)- Specification

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