COMU CAS#: 1075198-30-9; 凯望编码 (ChemWhat Code): 1045204

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

英文名COMU
IUPAC Name[[(Z)-(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-morpholin-4-ylmethylidene]-dimethylazanium;hexafluorophosphate
分子结构Structure of COMU CAS 1075198-30-9
CAS编号 1075198-30-9
MDL NumberMFCD11975052
别名(1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphate
分子式C12H19N4O4*F6P
分子量428.2706
InChIInChI=1S/C12H19N4O4.F6P/c1-4-19-11(17)10(9-13)14-20-12(15(2)3)16-5-7-18-8-6-16;1-7(2,3,4,5)6/h4-8H2,1-3H3;/q+1;-1/b14-10-;
InChI KeyGPDHNZNLPKYHCN-DZOOLQPHSA-N
Canonical SMILESCCOC(=O)C(=NOC(=[N+](C)C)N1CCOCC1)C#N.F[P-](F)(F)(F)(F)F
Isomeric SMILESCCOC(=O)/C(=N\OC(=[N+](C)C)N1CCOCC1)/C#N.F[P-](F)(F)(F)(F)F
Patent Information
No data available

Physical Data

AppearanceWhite or off-white powder
Melting Point160℃

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)
Chemical shifts1H
Chemical shifts13C
Description (IR Spectroscopy)Solvent (IR Spectroscopy)
Bands
COMU CAS#: 1075198-30-9 IRIR of COMU CAS 1075198-30-9
COMU CAS#: 1075198-30-9 RamanRaman of COMU CAS 1075198-30-9

Route of Synthesis (ROS)

No data available

Safety and Hazards

Pictogram(s)exclamation-mark
SignalWarning
GHS Hazard StatementsH315: Causes skin irritation [Warning Skin corrosion/irritation]
H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Information may vary between notifications depending on impurities, additives, and other factors. 
Precautionary Statement CodesP261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
(The corresponding statement to each P-code can be found at the GHS Classification page.)
For more detailed information, please visit ECHA C&L website
Source: European Chemicals Agency (ECHA)
License Note: Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: “Source: European Chemicals Agency, http://echa.europa.eu/”. Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.
License URL: https://echa.europa.eu/web/guest/legal-notice
Record Name: (1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphate
URL: https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/213446
Description: The information provided here is aggregated from the “Notified classification and labelling” from ECHA’s C&L Inventory. Read more: https://echa.europa.eu/information-on-chemicals/cl-inventory-database

Other Data

TransportationNot dangerous goods
Under the room temperature and away from light
HS Code294200
StorageStore at 2-8°C, away from light.
Shelf Life2 years
Market PriceUSD 1900/kg
Use Pattern
Morpholine-Based Immonium andHalogenoamidinium Salts as Coupling Reagents in Peptide Synthesis; COMU – Safer and More Efficient Peptide Coupling Reagent.

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