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88552-97-0 | 1-Octadecanaminium, 3-hydroxy-N,N,N-trimethyl-, iodide
CAS No: 88552-97-0 Catalog No: AG004CCS MDL No:
Product Description
Catalog Number:
AG004CCS
Chemical Name:
1-Octadecanaminium, 3-hydroxy-N,N,N-trimethyl-, iodide
CAS Number:
88552-97-0
Molecular Formula:
C21H46INO
Molecular Weight:
455.5005
IUPAC Name:
3-hydroxyoctadecyl(trimethyl)azanium;iodide
InChI:
InChI=1S/C21H46NO.HI/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20-22(2,3)4;/h21,23H,5-20H2,1-4H3;1H/q+1;/p-1
InChI Key:
PRMMIQSXIVIHLD-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCC(CC[N+](C)(C)C)O.[I-]
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
455.262g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
455.509g/mol
Monoisotopic Mass:
455.262g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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