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91834-91-2 | 1H-Imidazole, dihydrooctadecyl-
CAS No: 91834-91-2 Catalog No: AG006SH5 MDL No:
Product Description
Catalog Number:
AG006SH5
Chemical Name:
1H-Imidazole, dihydrooctadecyl-
CAS Number:
91834-91-2
Molecular Formula:
C21H42N2
Molecular Weight:
322.5716
IUPAC Name:
3-octadecyl-1,2-dihydroimidazole
InChI:
InChI=1S/C21H42N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-20-18-22-21-23/h18,20,22H,2-17,19,21H2,1H3
InChI Key:
PNYFLXCOMFVARV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCN1C=CNC1
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.335g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.581g/mol
Monoisotopic Mass:
322.335g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.3
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