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113283-94-6,MFCD11858354
Catalog No.:AA0081YP

113283-94-6 | tert-Butyl (4-(methylamino)phenyl)carbamate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
500mg
97%
2 weeks  
$211.00   $148.00
- +
1g
97%
2 weeks  
$312.00   $219.00
- +
5g
97%
2 weeks  
$908.00   $635.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0081YP
Chemical Name:
tert-Butyl (4-(methylamino)phenyl)carbamate
CAS Number:
113283-94-6
Molecular Formula:
C12H18N2O2
Molecular Weight:
222.2835
MDL Number:
MFCD11858354
SMILES:
CNc1ccc(cc1)NC(=O)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
228  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.5  

Downstream Synthesis Route

[1]Hwang,DongJin;Yang,Jun;Xu,Huiping;Rakov,IgorM.;Mohler,MichaelL.;Dalton,JamesT.;Miller,DuaneD.[BioorganicandMedicinalChemistry,2006,vol.14,#19,p.6525-6538]

[2]Sundermann,TomR.;Benzin,ClarissaV.;Dražić,Tonko;Klein,ChristianD.[EuropeanJournalofMedicinalChemistry,2019,vol.176,p.187-194]

[1]Lurdes,M.;Almeida,S.;Grehn,Leif;Ragnarsson,Ulf[JournaloftheChemicalSociety.Chemicalcommunications,1987,#16,p.1250-1251]

[1]JournalofMedicinalChemistry,2009,vol.52,p.601-609

[1]Patent:US2010/160332,2010,A1.Locationinpatent:Page/Pagecolumn8

[1]CurrentPatentAssignee:UNIVERSITYOFDUBLIN-US2010/160332,2010,A1Locationinpatent:Page/Pagecolumn7

Literature
Quotation Request
Company Name:
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Contact Person:
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Quantity Required:
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Additional Info:
Submit
SDS
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Tags:113283-94-6 Molecular Formula|113283-94-6 MDL|113283-94-6 SMILES|113283-94-6 tert-Butyl (4-(methylamino)phenyl)carbamate
Catalog No.: AA0081YP
113283-94-6,MFCD11858354
113283-94-6 | tert-Butyl (4-(methylamino)phenyl)carbamate
Pack Size： 500mg
Purity： 97%
2 weeks
$211.00 $148.00
Pack Size： 1g
Purity： 97%
2 weeks
$312.00 $219.00
Pack Size： 5g
Purity： 97%
2 weeks
$908.00 $635.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0081YP
Chemical Name: tert-Butyl (4-(methylamino)phenyl)carbamate
CAS Number: 113283-94-6
Molecular Formula: C12H18N2O2
Molecular Weight: 222.2835
MDL Number: MFCD11858354
SMILES: CNc1ccc(cc1)NC(=O)OC(C)(C)C
Properties
Complexity: 228  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.5  
Downstream Synthesis Route
24424-99-5    623-09-6    113283-94-6 

[1]Hwang,DongJin;Yang,Jun;Xu,Huiping;Rakov,IgorM.;Mohler,MichaelL.;Dalton,JamesT.;Miller,DuaneD.[BioorganicandMedicinalChemistry,2006,vol.14,#19,p.6525-6538]

[2]Sundermann,TomR.;Benzin,ClarissaV.;Dražić,Tonko;Klein,ChristianD.[EuropeanJournalofMedicinalChemistry,2019,vol.176,p.187-194]

623-09-6    113283-94-6 

[1]Lurdes,M.;Almeida,S.;Grehn,Leif;Ragnarsson,Ulf[JournaloftheChemicalSociety.Chemicalcommunications,1987,#16,p.1250-1251]

113283-94-6    62-50-0    1111628-41-1 

[1]JournalofMedicinalChemistry,2009,vol.52,p.601-609

66-27-3    71026-66-9    113283-94-6 

[1]Patent:US2010/160332,2010,A1.Locationinpatent:Page/Pagecolumn8

113283-94-6    623-09-6 

[1]CurrentPatentAssignee:UNIVERSITYOFDUBLIN-US2010/160332,2010,A1Locationinpatent:Page/Pagecolumn7

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