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Home > Imidazoles > 94531-00-7
94531-00-7 | 1H-Imidazolium, 1,3,4-trimethyl-
CAS No: 94531-00-7 Catalog No: AG006A0J MDL No:
Product Description
Catalog Number:
AG006A0J
Chemical Name:
1H-Imidazolium, 1,3,4-trimethyl-
CAS Number:
94531-00-7
Molecular Formula:
C6H13N2+
Molecular Weight:
113.1808
IUPAC Name:
1,3,4-trimethyl-1,2-dihydroimidazol-1-ium
InChI:
InChI=1S/C6H12N2/c1-6-4-7(2)5-8(6)3/h4H,5H2,1-3H3/p+1
InChI Key:
KTWCNPBNIFBZCY-UHFFFAOYSA-O
SMILES:
C[NH+]1C=C(N(C1)C)C
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.108g/mol
Formal Charge:
1
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
113.184g/mol
Monoisotopic Mass:
113.108g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
7.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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