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Home Aminos Ethyl 4-(butylamino)-3-nitrobenzoate

Ethyl 4-(butylamino)-3-nitrobenzoate

CAS No.:
1206724-39-1
Catalog Number:
AG00HFKF
Molecular Formula:
C13H18N2O4
Molecular Weight:
266.2930
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$150
- +
5g
98%
In Stock USA
United States
$450
- +
10g
98%
In Stock USA
United States
$750
- +
25g
98%
In Stock USA
United States
$1350
- +
Product Description
Catalog Number:
AG00HFKF
Chemical Name:
Ethyl 4-(butylamino)-3-nitrobenzoate
CAS Number:
1206724-39-1
Molecular Formula:
C13H18N2O4
Molecular Weight:
266.2930
MDL Number:
MFCD28962778
IUPAC Name:
ethyl 4-(butylamino)-3-nitrobenzoate
InChI:
InChI=1S/C13H18N2O4/c1-3-5-8-14-11-7-6-10(13(16)19-4-2)9-12(11)15(17)18/h6-7,9,14H,3-5,8H2,1-2H3
InChI Key:
XTYBXKDVKDHZDH-UHFFFAOYSA-N
SMILES:
CCCCNc1ccc(cc1[N+](=O)[O-])C(=O)OCC
Properties
Complexity:
304  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.127g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
266.297g/mol
Monoisotopic Mass:
266.127g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Literature
Title Journal
Ethyl 4-butyl-amino-3-nitro-benzoate. Acta crystallographica. Section E, Structure reports online 20090901
4-Butyl-amino-3-nitro-benzoic acid. Acta crystallographica. Section E, Structure reports online 20090501
Properties