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1351589-67-7 | 1-(Piperidin-4-ylmethyl)-1H-benzimidazole dihydrochloride
CAS No: 1351589-67-7 Catalog No: AG01AQV7 MDL No:MFCD16661024
Product Description
Catalog Number:
AG01AQV7
Chemical Name:
1-(Piperidin-4-ylmethyl)-1H-benzimidazole dihydrochloride
CAS Number:
1351589-67-7
Molecular Formula:
C13H19Cl2N3
Molecular Weight:
288.2161
MDL Number:
MFCD16661024
IUPAC Name:
1-(piperidin-4-ylmethyl)benzimidazole;dihydrochloride
InChI:
InChI=1S/C13H17N3.2ClH/c1-2-4-13-12(3-1)15-10-16(13)9-11-5-7-14-8-6-11;;/h1-4,10-11,14H,5-9H2;2*1H
InChI Key:
MWBSPFVIQBHWHM-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)Cn1cnc2c1cccc2.Cl.Cl
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.096g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
288.216g/mol
Monoisotopic Mass:
287.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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