Home Aminos 2,5-Dioxopyrrolidin-1-yl 6-((2,4-dinitrophenyl)amino)hexanoate

2,5-Dioxopyrrolidin-1-yl 6-((2,4-dinitrophenyl)amino)hexanoate

CAS No.:
82321-04-8
Catalog Number:
AG003TCG
Molecular Formula:
C16H18N4O8
Molecular Weight:
394.3361
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Product Description
Catalog Number:
AG003TCG
Chemical Name:
2,5-Dioxopyrrolidin-1-yl 6-((2,4-dinitrophenyl)amino)hexanoate
CAS Number:
82321-04-8
Molecular Formula:
C16H18N4O8
Molecular Weight:
394.3361
MDL Number:
MFCD00191630
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 6-(2,4-dinitroanilino)hexanoate
InChI:
InChI=1S/C16H18N4O8/c21-14-7-8-15(22)18(14)28-16(23)4-2-1-3-9-17-12-6-5-11(19(24)25)10-13(12)20(26)27/h5-6,10,17H,1-4,7-9H2
InChI Key:
IYBNUJCDIAGXNX-UHFFFAOYSA-N
SMILES:
O=C(ON1C(=O)CCC1=O)CCCCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
613  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.112g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
394.34g/mol
Monoisotopic Mass:
394.112g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
167A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties