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Home > Imidazoles > 171058-18-7
171058-18-7 | 1H-Imidazolium, 1-decyl-3-methyl-, chloride
CAS No: 171058-18-7 Catalog No: AG00HZIR MDL No:MFCD03427605
Product Description
Catalog Number:
AG00HZIR
Chemical Name:
1H-Imidazolium, 1-decyl-3-methyl-, chloride
CAS Number:
171058-18-7
Molecular Formula:
C14H27ClN2
Molecular Weight:
258.8306
MDL Number:
MFCD03427605
IUPAC Name:
1-decyl-3-methylimidazol-3-ium;chloride
InChI:
InChI=1S/C14H27N2.ClH/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;/h12-14H,3-11H2,1-2H3;1H/q+1;/p-1
InChI Key:
HTZVLLVRJHAJJF-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCn1cc[n+](c1)C.[Cl-]
NSC Number:
747267
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.186g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.834g/mol
Monoisotopic Mass:
258.186g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
8.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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