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54798-28-6

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Basic Information
CAS No.: 54798-28-6
Name: 5-ACETOXYMETHYL-2-AMINO-3-CYANOPYRAZINE
Molecular Structure:
Molecular Structure of 54798-28-6 (5-ACETOXYMETHYL-2-AMINO-3-CYANOPYRAZINE)
Formula: C8H8N4O2
Molecular Weight: 192.177
Synonyms: Pyrazinecarbonitrile,6-[(acetyloxy)methyl]-3-amino- (9CI);2-Amino-3-cyano-5-(acetoxymethyl)pyrazine;5-Amino-6-cyanopyrazin-2-yl acetate;6-[(Acetyloxy)methyl]-3-amino-2-pyrazinecarbonitrile;
EINECS: 259-354-1
Density: 1.35 g/cm3
Melting Point: 141-142 °C
Boiling Point: 378.1 °C at 760 mmHg
Flash Point: 182.5 °C
Hazard Symbols: HarmfulXn
Risk Codes: 20/21/22
Safety: 36
PSA: 101.89000
LogP: 0.57478
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Specification

The systematic name of 5-Amino-6-cyanopyrazin-2-yl acetate is (5-amino-6-cyanopyrazin-2-yl)methyl acetate. With the CAS registry number 54798-28-6, it is also named as 6-[(Acetyloxy)methyl]-3-amino-2-pyrazinecarbonitrile. The product's category is Pyrazines. Besides, it should be stored in sealed containers in a cool and dry place. In addition, its molecular formula is C8H8N4O2 and molecular weight is 192.17.

The other characteristics of 5-Amino-6-cyanopyrazin-2-yl acetate can be summarized as: (1)EINECS: 259-354-1; (2)ACD/LogP: 1.02; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 1.02; (5)ACD/LogD (pH 7.4): 1.02; (6)ACD/BCF (pH 5.5): 3.48; (7)ACD/BCF (pH 7.4): 3.48; (8)ACD/KOC (pH 5.5): 85; (9)ACD/KOC (pH 7.4): 85; (10)#H bond acceptors: 6; (11)#H bond donors: 2; (12)#Freely Rotating Bonds: 3; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 46.27 cm3; (15)Molar Volume: 141.7 cm3; (16)Surface Tension: 74.2 dyne/cm; (17)Density: 1.35 g/cm3; (18)Flash Point: 182.5 °C; (19)Melting Point: 141-142 °C; (20)Enthalpy of Vaporization: 62.6 kJ/mol; (21)Boiling Point: 378.1 °C at 760 mmHg; (22)Vapour Pressure: 6.42E-06 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is harmful by inhalation, in contact with skin and if swallowed. You should wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
(1)SMILES: N#Cc1nc(cnc1N)COC(=O)C
(2)InChI: InChI=1/C8H8N4O2/c1-5(13)14-4-6-3-11-8(10)7(2-9)12-6/h3H,4H2,1H3,(H2,10,11)
(3)InChIKey: IMLOZVNPFFXWAQ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C8H8N4O2/c1-5(13)14-4-6-3-11-8(10)7(2-9)12-6/h3H,4H2,1H3,(H2,10,11)
(5)Std. InChIKey: IMLOZVNPFFXWAQ-UHFFFAOYSA-N