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Home > Pyridines > 1417793-34-0
1417793-34-0 | Pyridine, 4-[[(4-piperidinylmethyl)thio]methyl]-, hydrochloride (1:1)
CAS No: 1417793-34-0 Catalog No: AG001H32 MDL No:MFCD22631686
Product Description
Catalog Number:
AG001H32
Chemical Name:
Pyridine, 4-[[(4-piperidinylmethyl)thio]methyl]-, hydrochloride (1:1)
CAS Number:
1417793-34-0
Molecular Formula:
C12H19ClN2S
Molecular Weight:
258.8107
MDL Number:
MFCD22631686
IUPAC Name:
4-(piperidin-4-ylmethylsulfanylmethyl)pyridine;hydrochloride
InChI:
InChI=1S/C12H18N2S.ClH/c1-5-13-6-2-11(1)9-15-10-12-3-7-14-8-4-12;/h1-2,5-6,12,14H,3-4,7-10H2;1H
InChI Key:
XFSAKVKUVKWHPC-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)CSCc1ccncc1.Cl
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.096g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.808g/mol
Monoisotopic Mass:
258.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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