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Home > Imidazoles > 847456-82-0
847456-82-0 | 1H-Benzimidazolium, 1,3-bis[2-(4-morpholinyl)ethyl]-, chloride
CAS No: 847456-82-0 Catalog No: AG004YDI MDL No:
Product Description
Catalog Number:
AG004YDI
Chemical Name:
1H-Benzimidazolium, 1,3-bis[2-(4-morpholinyl)ethyl]-, chloride
CAS Number:
847456-82-0
Molecular Formula:
C19H31ClN4O2
Molecular Weight:
382.9280
IUPAC Name:
4-[2-[3-(2-morpholin-4-ylethyl)-1,2-dihydrobenzimidazol-1-ium-1-yl]ethyl]morpholine;chloride
InChI:
InChI=1S/C19H30N4O2.ClH/c1-2-4-19-18(3-1)22(7-5-20-9-13-24-14-10-20)17-23(19)8-6-21-11-15-25-16-12-21;/h1-4H,5-17H2;1H
InChI Key:
GQLDCDIXSHQWBF-UHFFFAOYSA-N
SMILES:
O1CCN(CC1)CCN1C[NH+](c2c1cccc2)CCN1CCOCC1.[Cl-]
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.214g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
382.933g/mol
Monoisotopic Mass:
382.214g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
32.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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