COMU
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COMU
structure -
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CAS No:
1075198-30-9
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Formula:
C12H19F6N4O4P
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Chemical Name:
COMU
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Synonyms:
(1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphate;4-{{[(1-Cyano-2-ethoxy-2-oxoethylidene)amino]oxayl] (dimethylamino)methylene]-hexafluorophosphate;1-[1-(Cyano-2-ethoxy-2-oxoethylideneaMinooxy)-diMethylaMino-Morpholino]-uroniuM hexafluorophosphate;(1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylaminomorpholinocarbenium Hexafluorophosphate (This product is only available in Japan.);COMU(R) 97%;elagolix intermediate 13;COMU4-{{[(1-Cyano-2-ethoxy-2-oxoethylidene)-amino]-oxayl}-(dimethylamino)-methylene}-hexafluorophosphate morpholinium
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CAS No:
Characteristics
87.2
2.72628
White to pale yellow Powder or Solid
ca 160℃
Soluble in DMF 1mmol in 2mL.
2-8°C
Safety Information
NONH for all modes of transport
3
36/37/38
26
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 48 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:428.27
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:6
Exact Mass:428.10481107
Monoisotopic Mass:428.10481107
Topological Polar Surface Area:87.2
Heavy Atom Count:27
Complexity:516
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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