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Home > Imidazoles > 126049-85-2
126049-85-2 | 1H-Imidazolium, 1,3-bis(propoxymethyl)-, chloride (1:1)
CAS No: 126049-85-2 Catalog No: AG000QUA MDL No:
Product Description
Catalog Number:
AG000QUA
Chemical Name:
1H-Imidazolium, 1,3-bis(propoxymethyl)-, chloride (1:1)
CAS Number:
126049-85-2
Molecular Formula:
C11H23ClN2O2
Molecular Weight:
250.7655
IUPAC Name:
1,3-bis(propoxymethyl)-1,2-dihydroimidazol-1-ium;chloride
InChI:
InChI=1S/C11H22N2O2.ClH/c1-3-7-14-10-12-5-6-13(9-12)11-15-8-4-2;/h5-6H,3-4,7-11H2,1-2H3;1H
InChI Key:
SKAHWBNMNWVCDF-UHFFFAOYSA-N
SMILES:
CCCOCN1C=C[NH+](C1)COCCC.[Cl-]
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.145g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.767g/mol
Monoisotopic Mass:
250.145g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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