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89053-12-3 | 1-Dodecanaminium, N-(3-iodo-2-propynyl)-N,N-dimethyl-, chloride
CAS No: 89053-12-3 Catalog No: AG0041E0 MDL No:
Product Description
Catalog Number:
AG0041E0
Chemical Name:
1-Dodecanaminium, N-(3-iodo-2-propynyl)-N,N-dimethyl-, chloride
CAS Number:
89053-12-3
Molecular Formula:
C17H33ClIN
Molecular Weight:
413.8081
IUPAC Name:
dodecyl-(3-iodoprop-2-ynyl)-dimethylazanium;chloride
InChI:
InChI=1S/C17H33IN.ClH/c1-4-5-6-7-8-9-10-11-12-13-16-19(2,3)17-14-15-18;/h4-13,16-17H2,1-3H3;1H/q+1;/p-1
InChI Key:
FICUEQQHIXCQGR-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCC[N+](CC#CI)(C)C.[Cl-]
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.135g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
413.812g/mol
Monoisotopic Mass:
413.135g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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