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6970-82-7 | 1,1'-hexane-1,6-diylbis(2,5-dimethyl-1h-pyrrole)
CAS No: 6970-82-7 Catalog No: AG005IVH MDL No:
Product Description
Catalog Number:
AG005IVH
Chemical Name:
1,1'-hexane-1,6-diylbis(2,5-dimethyl-1h-pyrrole)
CAS Number:
6970-82-7
Molecular Formula:
C18H28N2
Molecular Weight:
272.4283
IUPAC Name:
1-[6-(2,5-dimethylpyrrol-1-yl)hexyl]-2,5-dimethylpyrrole
InChI:
InChI=1S/C18H28N2/c1-15-9-10-16(2)19(15)13-7-5-6-8-14-20-17(3)11-12-18(20)4/h9-12H,5-8,13-14H2,1-4H3
InChI Key:
OXQNQMMTHSLQPT-UHFFFAOYSA-N
SMILES:
Cc1ccc(n1CCCCCCn1c(C)ccc1C)C
NSC Number:
62604
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.225g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.436g/mol
Monoisotopic Mass:
272.225g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
9.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| 2,2',5,5'-Tetra-methyl-1,1'-(hexane-1,6-di-yl)di-1H-pyrrole. | Acta crystallographica. Section E, Structure reports online 20090701 |
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