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Home > Imidazoles > 1955474-37-9
1955474-37-9 | 3-{2-[(2S,4R)-4-methoxypyrrolidin-2-yl]-1H-imidazol-4-yl}pyridine trihydrochloride
CAS No: 1955474-37-9 Catalog No: AG01B5GS MDL No:MFCD30181077
Product Description
Catalog Number:
AG01B5GS
Chemical Name:
3-{2-[(2S,4R)-4-methoxypyrrolidin-2-yl]-1H-imidazol-4-yl}pyridine trihydrochloride
CAS Number:
1955474-37-9
Molecular Formula:
C13H19Cl3N4O
Molecular Weight:
353.6752
MDL Number:
MFCD30181077
IUPAC Name:
3-[2-(4-methoxypyrrolidin-2-yl)-1H-imidazol-5-yl]pyridine;trihydrochloride
InChI:
InChI=1S/C13H16N4O.3ClH/c1-18-10-5-11(15-7-10)13-16-8-12(17-13)9-3-2-4-14-6-9;;;/h2-4,6,8,10-11,15H,5,7H2,1H3,(H,16,17);3*1H
InChI Key:
OJHSNXISIZYIEP-UHFFFAOYSA-N
SMILES:
CO[C@H]1CN[C@@H](C1)c1[nH]cc(n1)c1cccnc1.Cl.Cl.Cl
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.062g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
353.672g/mol
Monoisotopic Mass:
352.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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