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89053-20-3 | 1-Butanaminium, N,N-dibutyl-N-(3-iodo-2-propynyl)-, chloride
CAS No: 89053-20-3 Catalog No: AG0041DY MDL No:
Product Description
Catalog Number:
AG0041DY
Chemical Name:
1-Butanaminium, N,N-dibutyl-N-(3-iodo-2-propynyl)-, chloride
CAS Number:
89053-20-3
Molecular Formula:
C15H29ClIN
Molecular Weight:
385.7549
IUPAC Name:
tributyl(3-iodoprop-2-ynyl)azanium;chloride
InChI:
InChI=1S/C15H29IN.ClH/c1-4-7-12-17(13-8-5-2,14-9-6-3)15-10-11-16;/h4-9,12-15H2,1-3H3;1H/q+1;/p-1
InChI Key:
GCRVGSRHFFBBQT-UHFFFAOYSA-M
SMILES:
CCCC[N+](CC#CI)(CCCC)CCCC.[Cl-]
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.103g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
385.758g/mol
Monoisotopic Mass:
385.103g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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