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Home Nitriles 4-(4-AMino-piperidin-1-ylMethyl)-benzonitrile hydrochloride

4-(4-AMino-piperidin-1-ylMethyl)-benzonitrile hydrochloride

CAS No.:
1353977-72-6
Catalog Number:
AG009IBB
Molecular Formula:
C13H18ClN3
Molecular Weight:
251.7551
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Product Description
Catalog Number:
AG009IBB
Chemical Name:
4-(4-AMino-piperidin-1-ylMethyl)-benzonitrile hydrochloride
CAS Number:
1353977-72-6
Molecular Formula:
C13H18ClN3
Molecular Weight:
251.7551
MDL Number:
MFCD21098432
IUPAC Name:
4-[(4-aminopiperidin-1-yl)methyl]benzonitrile;hydrochloride
InChI:
InChI=1S/C13H17N3.ClH/c14-9-11-1-3-12(4-2-11)10-16-7-5-13(15)6-8-16;/h1-4,13H,5-8,10,15H2;1H
InChI Key:
IQEQWOGQIATCJR-UHFFFAOYSA-N
SMILES:
NC1CCN(CC1)Cc1ccc(cc1)C#N.Cl
Properties
Complexity:
252  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
251.758g/mol
Monoisotopic Mass:
251.119g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties