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35681-40-4,MFCD27578171
Catalog No.:AA00I70A

35681-40-4 | 1-Isopropyl-3H-1,3-benzodiazol-2-one

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$211.00   $148.00
- +
5g
98%
in stock  
$809.00   $567.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00I70A
Chemical Name:
1-Isopropyl-3H-1,3-benzodiazol-2-one
CAS Number:
35681-40-4
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
MDL Number:
MFCD27578171
SMILES:
CC(n1c(=O)[nH]c2c1cccc2)C
Properties
Properties
 
Form:
Solid  
MP:
129℃  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
215  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
1.5  

Downstream Synthesis Route

[1]Tapia,Inés;Alonso-Cires,Luisa;López-Tudanca,PedroLuis;Mosquera,Ramón;Labeaga,Luis;Innerárity,Ana;Orjales,Aurelio[JournalofMedicinalChemistry,1999,vol.42,#15,p.2870-2880]

[1]JournalofHeterocyclicChemistry,1981,vol.18,p.85-89

[2]Patent:US2003/207868,2003,A1

[1]BioorganicandMedicinalChemistryLetters,2008,vol.18,p.6067-6070

Literature

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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SDS
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Tags:35681-40-4 Molecular Formula|35681-40-4 MDL|35681-40-4 SMILES|35681-40-4 1-Isopropyl-3H-1,3-benzodiazol-2-one