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37795-09-8 | 1H-Imidazole,2-[(2-ethyl-3-benzofuranyl)methyl]-4,5-dihydro-, hydrochloride (1:1)
CAS No: 37795-09-8 Catalog No: AG0077S2 MDL No:
Product Description
Catalog Number:
AG0077S2
Chemical Name:
1H-Imidazole,2-[(2-ethyl-3-benzofuranyl)methyl]-4,5-dihydro-, hydrochloride (1:1)
CAS Number:
37795-09-8
Molecular Formula:
C14H17ClN2O
Molecular Weight:
264.7506
IUPAC Name:
2-[(2-ethyl-1-benzofuran-3-yl)methyl]-4,5-dihydro-1H-imidazol-3-ium;chloride
InChI:
InChI=1S/C14H16N2O.ClH/c1-2-12-11(9-14-15-7-8-16-14)10-5-3-4-6-13(10)17-12;/h3-6H,2,7-9H2,1H3,(H,15,16);1H
InChI Key:
YDDYHDKRIBOHOT-UHFFFAOYSA-N
SMILES:
CCc1oc2c(c1CC1=NCC[NH2+]1)cccc2.[Cl-]
EC Number:
253-670-3
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.103g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.753g/mol
Monoisotopic Mass:
264.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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