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Home > Imidazoles > 1955474-39-1
1955474-39-1 | 2-[(2S,4R)-4-methoxypyrrolidin-2-yl]-1H-imidazole dihydrochloride
CAS No: 1955474-39-1 Catalog No: AG01B5KC MDL No:MFCD30181118
Product Description
Catalog Number:
AG01B5KC
Chemical Name:
2-[(2S,4R)-4-methoxypyrrolidin-2-yl]-1H-imidazole dihydrochloride
CAS Number:
1955474-39-1
Molecular Formula:
C8H15Cl2N3O
Molecular Weight:
240.1302
MDL Number:
MFCD30181118
IUPAC Name:
2-[(2S,4R)-4-methoxypyrrolidin-2-yl]-1H-imidazole;dihydrochloride
InChI:
InChI=1S/C8H13N3O.2ClH/c1-12-6-4-7(11-5-6)8-9-2-3-10-8;;/h2-3,6-7,11H,4-5H2,1H3,(H,9,10);2*1H/t6-,7+;;/m1../s1
InChI Key:
AEGANHMNEZUVQF-VJBFUYBPSA-N
SMILES:
CO[C@H]1CN[C@@H](C1)c1ncc[nH]1.Cl.Cl
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
239.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
240.128g/mol
Monoisotopic Mass:
239.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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