Methyl 3,5-diamino-6-chloropyrazine-2-carboxylate
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Methyl 3,5-diamino-6-chloropyrazine-2-carboxylate
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CAS No:
1458-01-1
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Formula:
C6H7ClN4O2
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Chemical Name:
Methyl 3,5-diamino-6-chloropyrazine-2-carboxylate
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Synonyms:
2-Pyrazinecarboxylic acid,3,5-diamino-6-chloro-,methyl ester;Pyrazinecarboxylic acid,3,5-diamino-6-chloro-,methyl ester;Methyl 3,5-diamino-6-chloropyrazinecarboxylate;3,5-Diamino-6-chloropyrazine-2-carboxylic acid methyl ester;Methyl 3,5-diamino-6-chloropyrazine-2-carboxylate
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CAS No:
Methyl 3,5-diamino-6-chloropyrazine-2-carboxylate Basic Attributes
202.6
202.60
215-946-1
4KAT2Q9CHL
DTXSID20163161
2933990090
Safety Information
NONH for all modes of transport
3
36/37/38
26-36/37
Xi
Stable. Incompatible with strong oxidizing agents.
P305 + P351 + P338
H315-H319-H335
|Danger|H301 (10.2%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P314, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 50 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Methyl 3,5-diamino-6-chloropyrazine-2-carboxylate Use and Manufacturing
HMRS: molecularion calcd. for C5 H6 N4 O2, m/e 154.0491; measured m/e, 154.053. Peak at m/e 110 (for M-CO2) This material can be converted in good yield to the known methyl 3, 5-diaminopyrazinoate (U.S. Pat. No. 3, 313, 813, Example 2) by standard procedures. It in turn can be chlorinated by sulfuryl chloride to give methyl-6-chloro-3, 5-diaminopyrazinoate. 3, 5-Diamino-2, 6-dicarboxypyrazine is available from basic hydrolysis of 3, 5-diamino-2, 6-dicyanopyrazine by the following reaction: SPC8General procedure: General procedure: General procedure: General procedure:
Computed Properties
Molecular Weight:202.60
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:202.0257532
Monoisotopic Mass:202.0257532
Topological Polar Surface Area:104
Heavy Atom Count:13
Complexity:203
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Methyl 3,5-diamino-6-chloropyrazine-2-carboxylate
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