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Home > Nitro Compounds > 102366-82-5
102366-82-5 | Hexanediamide, N1,N1-bis(1,1-dimethylethyl)-3-(2-nitrocyclohexyl)-
CAS No: 102366-82-5 Catalog No: AG00079K MDL No:
Product Description
Catalog Number:
AG00079K
Chemical Name:
Hexanediamide, N1,N1-bis(1,1-dimethylethyl)-3-(2-nitrocyclohexyl)-
CAS Number:
102366-82-5
Molecular Formula:
C20H37N3O4
Molecular Weight:
383.5255
IUPAC Name:
N,N-ditert-butyl-3-(2-nitrocyclohexyl)hexanediamide
InChI:
InChI=1S/C20H37N3O4/c1-19(2,3)22(20(4,5)6)18(25)13-14(11-12-17(21)24)15-9-7-8-10-16(15)23(26)27/h14-16H,7-13H2,1-6H3,(H2,21,24)
InChI Key:
BBNXIROMEHRFQA-UHFFFAOYSA-N
SMILES:
NC(=O)CCC(C1CCCCC1[N+](=O)[O-])CC(=O)N(C(C)(C)C)C(C)(C)C
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.278g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
383.533g/mol
Monoisotopic Mass:
383.278g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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