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Home > Nitro Compounds > 349408-64-6
349408-64-6 | 5-Nitro-N,N,N',N'-tetrapropylisophthalamide
CAS No: 349408-64-6 Catalog No: AG00QGCU MDL No:
Product Description
Catalog Number:
AG00QGCU
Chemical Name:
5-Nitro-N,N,N',N'-tetrapropylisophthalamide
CAS Number:
349408-64-6
Molecular Formula:
C20H31N3O4
Molecular Weight:
377.4778
IUPAC Name:
5-nitro-1-N,1-N,3-N,3-N-tetrapropylbenzene-1,3-dicarboxamide
InChI:
InChI=1S/C20H31N3O4/c1-5-9-21(10-6-2)19(24)16-13-17(15-18(14-16)23(26)27)20(25)22(11-7-3)12-8-4/h13-15H,5-12H2,1-4H3
InChI Key:
IBPKFKHELWAWSA-UHFFFAOYSA-N
SMILES:
CCCN(C(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)N(CCC)CCC)CCC
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.231g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.485g/mol
Monoisotopic Mass:
377.231g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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