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Home Aminos Ethyl 3-nitro-4-(propylamino)benzoate

Ethyl 3-nitro-4-(propylamino)benzoate

CAS No.:
312922-00-2
Catalog Number:
AG00CJ9P
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$119
- +
5g
98%
In Stock USA
United States
$425
- +
Product Description
Catalog Number:
AG00CJ9P
Chemical Name:
Ethyl 3-nitro-4-(propylamino)benzoate
CAS Number:
312922-00-2
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
MDL Number:
MFCD02089291
IUPAC Name:
ethyl 3-nitro-4-(propylamino)benzoate
InChI:
InChI=1S/C12H16N2O4/c1-3-7-13-10-6-5-9(12(15)18-4-2)8-11(10)14(16)17/h5-6,8,13H,3-4,7H2,1-2H3
InChI Key:
OXQMLLNIKRQKNQ-UHFFFAOYSA-N
SMILES:
CCCNc1ccc(cc1[N+](=O)[O-])C(=O)OCC
Properties
Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.111g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.27g/mol
Monoisotopic Mass:
252.111g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Ethyl 3-nitro-4-(n-propyl-amino)benzoate. Acta crystallographica. Section E, Structure reports online 20090601
Ethyl 3-nitro-4-(propyl-amino)benzoate. Acta crystallographica. Section E, Structure reports online 20080801
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties