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866639-33-0 | 1-Butanaminium, N-[bis(dibutylamino)methylene]-N-butyl-, iodide
CAS No: 866639-33-0 Catalog No: AG004OI7 MDL No:
Product Description
Catalog Number:
AG004OI7
Chemical Name:
1-Butanaminium, N-[bis(dibutylamino)methylene]-N-butyl-, iodide
CAS Number:
866639-33-0
Molecular Formula:
C25H54IN3
Molecular Weight:
523.6208
IUPAC Name:
bis(dibutylamino)methylidene-dibutylazanium;iodide
InChI:
InChI=1S/C25H54N3.HI/c1-7-13-19-26(20-14-8-2)25(27(21-15-9-3)22-16-10-4)28(23-17-11-5)24-18-12-6;/h7-24H2,1-6H3;1H/q+1;/p-1
InChI Key:
LFEBCOZTYKLSKL-UHFFFAOYSA-M
SMILES:
CCCCN(C(=[N+](CCCC)CCCC)N(CCCC)CCCC)CCCC.[I-]
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
523.336g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
523.632g/mol
Monoisotopic Mass:
523.336g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
9.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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