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188589-32-4 | 1H-Imidazolium, 3-decyl-1-methyl-, bromide (1:1)
CAS No: 188589-32-4 Catalog No: AG002H03 MDL No:MFCD09038832
Product Description
Catalog Number:
AG002H03
Chemical Name:
1H-Imidazolium, 3-decyl-1-methyl-, bromide (1:1)
CAS Number:
188589-32-4
Molecular Formula:
C14H29BrN2
Molecular Weight:
305.2975
MDL Number:
MFCD09038832
IUPAC Name:
1-decyl-3-methylimidazol-3-ium;bromide
InChI:
InChI=1S/C14H27N2.BrH/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:
HOISBTKPPVRFDS-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCN1C=C[NH+](C1)C.[Br-]
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.288g/mol
Monoisotopic Mass:
302.136g/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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