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597562-38-4,MFCD22689082
Catalog No.:AA00EKO4

597562-38-4 | Methyl 3-(butylamino)-4-nitrobenzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$107.00   $75.00
- +
5g
98%
in stock  
$297.00   $208.00
- +
25g
98%
in stock  
$774.00 $542.00
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00EKO4
Chemical Name:
Methyl 3-(butylamino)-4-nitrobenzoate
CAS Number:
597562-38-4
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
MDL Number:
MFCD22689082
SMILES:
CCCCNc1cc(ccc1[N+](=O)[O-])C(=O)OC
Properties
Computed Properties
 
Complexity:
290  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.4  

Literature
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SDS
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Tags:597562-38-4 Molecular Formula|597562-38-4 MDL|597562-38-4 SMILES|597562-38-4 Methyl 3-(butylamino)-4-nitrobenzoate
Catalog No.: AA00EKO4
597562-38-4,MFCD22689082
597562-38-4 | Methyl 3-(butylamino)-4-nitrobenzoate
Pack Size： 1g
Purity： 98%
in stock
$107.00 $75.00
Pack Size： 5g
Purity： 98%
in stock
$297.00 $208.00
Pack Size： 25g
Purity： 98%
in stock
$774.00 $542.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00EKO4
Chemical Name: Methyl 3-(butylamino)-4-nitrobenzoate
CAS Number: 597562-38-4
Molecular Formula: C12H16N2O4
Molecular Weight: 252.2664
MDL Number: MFCD22689082
SMILES: CCCCNc1cc(ccc1[N+](=O)[O-])C(=O)OC
Properties
Complexity: 290  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 18  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 6  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.4  
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