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23155-03-5 | Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, 1-oxide, dihydrochloride, (S)- (9CI)
CAS No: 23155-03-5 Catalog No: AG002MET MDL No:
Product Description
Catalog Number:
AG002MET
Chemical Name:
Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, 1-oxide, dihydrochloride, (S)- (9CI)
CAS Number:
23155-03-5
Molecular Formula:
C10H16Cl2N2O
Molecular Weight:
251.1528
IUPAC Name:
3-[(2S)-1-methylpyrrolidin-2-yl]-1-oxidopyridin-1-ium;dihydrochloride
InChI:
InChI=1S/C10H14N2O.2ClH/c1-11-6-3-5-10(11)9-4-2-7-12(13)8-9;;/h2,4,7-8,10H,3,5-6H2,1H3;2*1H/t10-;;/m0../s1
InChI Key:
GYMFEHNHIVEQAS-XRIOVQLTSA-N
SMILES:
CN1CCC[C@H]1c1ccc[n+](c1)[O-].Cl.Cl
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
250.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.151g/mol
Monoisotopic Mass:
250.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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