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69342-47-8,MFCD00013882
Catalog No.:AA003LQW

69342-47-8 | 1-Butyl-4-isocyanatobenzene

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
>98.0%(GC)
in stock  
$34.00   $24.00
- +
5g
>98.0%(GC)
in stock  
$80.00   $56.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003LQW
Chemical Name:
1-Butyl-4-isocyanatobenzene
CAS Number:
69342-47-8
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
MDL Number:
MFCD00013882
SMILES:
CCCCc1ccc(cc1)N=C=O
Properties
Properties
 
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
177  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.5  

Downstream Synthesis Route
35737-10-1    69342-47-8    615-13-4    164470-64-8   
3-{4-1-(2,3-Dihydro-1H-inden-2-yl)-3-(4-butylphenyl)ureidomethylbenzoylamino)propionicacid 

[1]JournalofMedicinalChemistry,2007,vol.50,p.113-128

951-87-1    69342-47-8   
meso-1,2-diphenyl-1,2-bisN'-(4-butylphenyl)ureidoethane 

[1]Tetrahedron,2017,vol.73,p.742-749

69342-47-8    98-32-8   
3-(3-(4-butylphenyl)ureido)-4-hydroxybenzenesulfonamide 

[1]JournalofMedicinalChemistry,2018,vol.61,p.6328-6338

69342-47-8    22259-53-6   
1-((1H-indol-3-yl)methyl)-3-(4-butylphenyl)urea 

[1]ACSMedicinalChemistryLetters,2019,vol.10,p.828-833

2124-47-2    69342-47-8   
1-(4-butylphenyl)-3-(2,4-dimethyl-5-nitrophenyl)urea 

[1]ChemicalCommunications,2019,vol.55,p.9519-9522

Literature
Quotation Request
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SDS
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Tags:69342-47-8 Molecular Formula|69342-47-8 MDL|69342-47-8 SMILES|69342-47-8 1-Butyl-4-isocyanatobenzene
Catalog No.: AA003LQW
69342-47-8,MFCD00013882
69342-47-8 | 1-Butyl-4-isocyanatobenzene
Pack Size： 1g
Purity： >98.0%(GC)
in stock
$34.00 $24.00
Pack Size： 5g
Purity： >98.0%(GC)
in stock
$80.00 $56.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003LQW
Chemical Name: 1-Butyl-4-isocyanatobenzene
CAS Number: 69342-47-8
Molecular Formula: C11H13NO
Molecular Weight: 175.2270
MDL Number: MFCD00013882
SMILES: CCCCc1ccc(cc1)N=C=O
Properties
Storage: Inert atmosphere;2-8℃;  
Complexity: 177  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.5  
Downstream Synthesis Route
35737-10-1    69342-47-8    615-13-4    164470-64-8   
3-{4-1-(2,3-Dihydro-1H-inden-2-yl)-3-(4-butylphenyl)ureidomethylbenzoylamino)propionicacid 

[1]JournalofMedicinalChemistry,2007,vol.50,p.113-128

951-87-1    69342-47-8   
meso-1,2-diphenyl-1,2-bisN'-(4-butylphenyl)ureidoethane 

[1]Tetrahedron,2017,vol.73,p.742-749

69342-47-8    98-32-8   
3-(3-(4-butylphenyl)ureido)-4-hydroxybenzenesulfonamide 

[1]JournalofMedicinalChemistry,2018,vol.61,p.6328-6338

69342-47-8    22259-53-6   
1-((1H-indol-3-yl)methyl)-3-(4-butylphenyl)urea 

[1]ACSMedicinalChemistryLetters,2019,vol.10,p.828-833

2124-47-2    69342-47-8   
1-(4-butylphenyl)-3-(2,4-dimethyl-5-nitrophenyl)urea 

[1]ChemicalCommunications,2019,vol.55,p.9519-9522

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