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1289385-58-5 | Benzonitrile, 2-[[3-(methylamino)-1-piperidinyl]methyl]-, hydrochloride (1:1)
CAS No: 1289385-58-5 Catalog No: AG000YLM MDL No:
Product Description
Catalog Number:
AG000YLM
Chemical Name:
Benzonitrile, 2-[[3-(methylamino)-1-piperidinyl]methyl]-, hydrochloride (1:1)
CAS Number:
1289385-58-5
Molecular Formula:
C14H20ClN3
Molecular Weight:
265.7817
IUPAC Name:
2-[[3-(methylamino)piperidin-1-yl]methyl]benzonitrile;hydrochloride
InChI:
InChI=1S/C14H19N3.ClH/c1-16-14-7-4-8-17(11-14)10-13-6-3-2-5-12(13)9-15;/h2-3,5-6,14,16H,4,7-8,10-11H2,1H3;1H
InChI Key:
HFCLFDPMQGMSNP-UHFFFAOYSA-N
SMILES:
CNC1CCCN(C1)Cc1ccccc1C#N.Cl
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.135g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
265.785g/mol
Monoisotopic Mass:
265.135g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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