Home Aminos 4-[(2-Aminoethyl)amino]-3-nitrobenzoic acid

4-[(2-Aminoethyl)amino]-3-nitrobenzoic acid

CAS No.:
59320-41-1
Catalog Number:
AG00EC3W
Molecular Formula:
C9H11N3O4
Molecular Weight:
225.2013
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$64
- +
5g
95%
In Stock USA
United States
$125
- +
Product Description
Catalog Number:
AG00EC3W
Chemical Name:
4-[(2-Aminoethyl)amino]-3-nitrobenzoic acid
CAS Number:
59320-41-1
Molecular Formula:
C9H11N3O4
Molecular Weight:
225.2013
MDL Number:
MFCD03704199
IUPAC Name:
4-(2-aminoethylamino)-3-nitrobenzoic acid
InChI:
InChI=1S/C9H11N3O4/c10-3-4-11-7-2-1-6(9(13)14)5-8(7)12(15)16/h1-2,5,11H,3-4,10H2,(H,13,14)
InChI Key:
UFDQDPCNAIIBSP-UHFFFAOYSA-N
SMILES:
NCCNc1ccc(cc1[N+](=O)[O-])C(=O)O
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.075g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
225.204g/mol
Monoisotopic Mass:
225.075g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4  
Properties