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1289385-43-8 | Benzonitrile, 2-[(4-piperidinylamino)methyl]-, hydrochloride (1:1)
CAS No: 1289385-43-8 Catalog No: AG000YKH MDL No:
Product Description
Catalog Number:
AG000YKH
Chemical Name:
Benzonitrile, 2-[(4-piperidinylamino)methyl]-, hydrochloride (1:1)
CAS Number:
1289385-43-8
Molecular Formula:
C13H18ClN3
Molecular Weight:
251.7551
IUPAC Name:
2-[(piperidin-4-ylamino)methyl]benzonitrile;hydrochloride
InChI:
InChI=1S/C13H17N3.ClH/c14-9-11-3-1-2-4-12(11)10-16-13-5-7-15-8-6-13;/h1-4,13,15-16H,5-8,10H2;1H
InChI Key:
CMJIJTKQDDOFCW-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1CNC1CCNCC1.Cl
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.119g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
251.758g/mol
Monoisotopic Mass:
251.119g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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