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1007398-58-4

1007398-58-4 | 1H-Imidazolium, 1,2-dimethyl-3-octyl-, chloride (1:1)

CAS No: 1007398-58-4 Catalog No: AG0002QM MDL No:

Product Description

Catalog Number:
AG0002QM
Chemical Name:
1H-Imidazolium, 1,2-dimethyl-3-octyl-, chloride (1:1)
CAS Number:
1007398-58-4
Molecular Formula:
C13H27ClN2
Molecular Weight:
246.8199
IUPAC Name:
1,2-dimethyl-3-octylimidazol-1-ium;chloride
InChI:
InChI=1S/C13H25N2.ClH/c1-4-5-6-7-8-9-10-15-12-11-14(3)13(15)2;/h11-12H,4-10H2,1-3H3;1H/q+1;/p-1
InChI Key:
YDTHOJLJYVCNIM-UHFFFAOYSA-M
SMILES:
CCCCCCCCN1C=C[NH+](C1C)C.[Cl-]

Properties

Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.171g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.807g/mol
Monoisotopic Mass:
244.171g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
8.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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