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180268-46-6 | 1H-Imidazolium, 1-methyl-3-tetradecyl-
CAS No: 180268-46-6 Catalog No: AG0021UG MDL No:
Product Description
Catalog Number:
AG0021UG
Chemical Name:
1H-Imidazolium, 1-methyl-3-tetradecyl-
CAS Number:
180268-46-6
Molecular Formula:
C18H37N2+
Molecular Weight:
281.4998
IUPAC Name:
1-methyl-3-tetradecyl-1,2-dihydroimidazol-1-ium
InChI:
InChI=1S/C18H36N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17-16-19(2)18-20/h16-17H,3-15,18H2,1-2H3/p+1
InChI Key:
FIOYZGZRZWNKTB-UHFFFAOYSA-O
SMILES:
CCCCCCCCCCCCCCN1C=C[NH+](C1)C
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.296g/mol
Formal Charge:
1
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.508g/mol
Monoisotopic Mass:
281.296g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
7.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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