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COMU

COMU structure

CAS No:
1075198-30-9
Formula:
C12H19F6N4O4P
Chemical Name:
COMU
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
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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COMU Basic Attributes

Molecular Weight：

428.2678402

Exact Mass：

428.10500

EC Number：

1592732-453-0

DSSTox ID：

DTXSID10659200

HScode：

2934 99 90

Characteristics

PSA：

87.2

XLogP3：

2.72628

Appearance：

White to pale yellow Powder or Solid

Melting Point：

ca 160℃

Water Solubility：

Soluble in DMF 1mmol in 2mL.

Storage Conditions：

2-8°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

Marks：

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|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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