Pyrazine-2,3-dicarboxamide

HCID 73173
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Basic information

CAS
6164-78-9
Standard SMILES
NC(=O)c1nccnc1C(N)=O
InChIKey
TZMYZOQDDVSLJU-UHFFFAOYSA-N
Molecular formula
C6H6N4O2
Average molar mass
166.14 g/mol
Monoisotopic mass
166.04907543

Names & identifiers

Preferred name
Pyrazine-2,3-dicarboxamide
IUPAC
pyrazine-2,3-dicarboxamide
English name
2,3-Pyrazinedicarboxamide
Molecular formula
C6H6N4O2
Molecular weight
166.14

Names & synonyms

Pyrazine-2,3-dicarboxamide2,3-PyrazinedicarboxamideUNII-3D1IC3QEXF3D1IC3QEXF2,3-Pyrazinedicarboxylic acid, diamideEINECS 228-197-0NSC 93820NSC-93820AI3-61138TZMYZOQDDVSLJU-UHFFFAOYSA-2,3-DICARBOXAMIDOPYRAZINEDTXSID90210656
Show more names
2,3-Pyrazinedicaroxamide2,3-Pyrazinedicarboxamide,97%2,3-Pyrazinedicarboxamide 95%N-(4,7-dimethyl-2-oxo-1-benzopyran-6-yl)-2-(3-methylphenoxy)acetamide
2,3-PYRAZINEDICARBOXYLIC ACID DIAMIDE2,3-PYRAZINEDICARBOXYLIC ACID DIAMIDE [MI]RefChem:177448DTXCID20133147228-197-0InChI=1/C6H6N4O2/c7-5(11)3-4(6(8)12)10-2-1-9-3/h1-2H,(H2,7,11)(H2,8,12)TZMYZOQDDVSLJU-UHFFFAOYSA-N6164-78-9

Database identifiers

CAS
6164-78-9
PubChem CID
73173
DTXSID
DTXSID90210656
UNII
3D1IC3QEXF
EC Number
228-197-0
Nikkaji
J230E

Properties

Computed structural properties

XLogP
-2
Topological polar surface area
112 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
12

Physicochemical properties

Melting point
248 °C · 248 °C (dec.) (lit.)
Boiling point
294.33 °C · 294.33°C (rough estimate)
Density
1.4434 · 1.4434 (rough estimate)
refractive index
1.67 · 1.6700 (estimate)
pka
13.23 · 13.23±0.50(Predicted)
form
powder

Safety & regulation

Safety data

wgk
3
safety_code
24/25
Storage Class
11 - Combustible Solids

Chemistry & industry

Upstream & downstream products

Suppliers18 total

武汉贺景行生物科技有限公司027-13277920701 13277920701 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
安徽合诺生物科技有限公司0555-2761852
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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