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85352-83-6 | 1-Butanaminium, 3-methyl-N,N,N-tris(3-methylbutyl)-, iodide, hydrate
CAS No: 85352-83-6 Catalog No: AG004U2D MDL No:
Product Description
Catalog Number:
AG004U2D
Chemical Name:
1-Butanaminium, 3-methyl-N,N,N-tris(3-methylbutyl)-, iodide, hydrate
CAS Number:
85352-83-6
Molecular Formula:
C20H46INO
Molecular Weight:
443.4898
IUPAC Name:
tetrakis(3-methylbutyl)azanium;iodide;hydrate
InChI:
InChI=1S/C20H44N.HI.H2O/c1-17(2)9-13-21(14-10-18(3)4,15-11-19(5)6)16-12-20(7)8;;/h17-20H,9-16H2,1-8H3;1H;1H2/q+1;;/p-1
InChI Key:
JQGZLYOZAYEXHH-UHFFFAOYSA-M
SMILES:
CC(CC[N+](CCC(C)C)(CCC(C)C)CCC(C)C)C.O.[I-]
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
443.262g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
443.498g/mol
Monoisotopic Mass:
443.262g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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