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Home > Imidazoles > 95574-47-3
95574-47-3 | 1H-Imidazolium, 2-methyl-1,3-bis(oxiranylmethyl)-, chloride
CAS No: 95574-47-3 Catalog No: AG00H8ZV MDL No:
Product Description
Catalog Number:
AG00H8ZV
Chemical Name:
1H-Imidazolium, 2-methyl-1,3-bis(oxiranylmethyl)-, chloride
CAS Number:
95574-47-3
Molecular Formula:
C10H17ClN2O2
Molecular Weight:
232.7072
IUPAC Name:
2-methyl-1,3-bis(oxiran-2-ylmethyl)-1,2-dihydroimidazol-1-ium;chloride
InChI:
InChI=1S/C10H16N2O2.ClH/c1-8-11(4-9-6-13-9)2-3-12(8)5-10-7-14-10;/h2-3,8-10H,4-7H2,1H3;1H
InChI Key:
JDPNEZQEBSTOCX-UHFFFAOYSA-N
SMILES:
CC1N(C=C[NH+]1CC1CO1)CC1CO1.[Cl-]
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.098g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.708g/mol
Monoisotopic Mass:
232.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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