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Home > Imidazoles > 139143-09-2
139143-09-2 | 1H-Imidazolium, 1,3-bis(1-methylethyl)-, chloride (1:1)
CAS No: 139143-09-2 Catalog No: AG001AE0 MDL No:MFCD03840577
Product Description
Catalog Number:
AG001AE0
Chemical Name:
1H-Imidazolium, 1,3-bis(1-methylethyl)-, chloride (1:1)
CAS Number:
139143-09-2
Molecular Formula:
C9H19ClN2
Molecular Weight:
190.7136
MDL Number:
MFCD03840577
IUPAC Name:
1,3-di(propan-2-yl)imidazol-1-ium;chloride
InChI:
InChI=1S/C9H17N2.ClH/c1-8(2)10-5-6-11(7-10)9(3)4;/h5-9H,1-4H3;1H/q+1;/p-1
InChI Key:
DOFXKPAOJLLPII-UHFFFAOYSA-M
SMILES:
CC(N1C=C[NH+](C1)C(C)C)C.[Cl-]
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.108g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.699g/mol
Monoisotopic Mass:
188.108g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
8.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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