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101588-78-7 | 1,5-Pentanediamine, N,N'-bis(4-nitrophenyl)- (9CI)
CAS No: 101588-78-7 Catalog No: AG0004XD MDL No:
Product Description
Catalog Number:
AG0004XD
Chemical Name:
1,5-Pentanediamine, N,N'-bis(4-nitrophenyl)- (9CI)
CAS Number:
101588-78-7
Molecular Formula:
C17H20N4O4
Molecular Weight:
344.3651
IUPAC Name:
N,N'-bis(4-nitrophenyl)pentane-1,5-diamine
InChI:
InChI=1S/C17H20N4O4/c22-20(23)16-8-4-14(5-9-16)18-12-2-1-3-13-19-15-6-10-17(11-7-15)21(24)25/h4-11,18-19H,1-3,12-13H2
InChI Key:
QYQIKFWYWXMYCT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)NCCCCCNc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.148g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
344.371g/mol
Monoisotopic Mass:
344.148g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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