Home Nitriles Benzonitrile, 4-(4-piperidinyl)-, hydrochloride (1:1)

Benzonitrile, 4-(4-piperidinyl)-, hydrochloride (1:1)

CAS No.:
162997-34-4
Catalog Number:
AG001TL1
Molecular Formula:
C12H15ClN2
Molecular Weight:
222.7139
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Product Description
Catalog Number:
AG001TL1
Chemical Name:
Benzonitrile, 4-(4-piperidinyl)-, hydrochloride (1:1)
CAS Number:
162997-34-4
Molecular Formula:
C12H15ClN2
Molecular Weight:
222.7139
MDL Number:
MFCD08544124
IUPAC Name:
4-piperidin-4-ylbenzonitrile;hydrochloride
InChI:
InChI=1S/C12H14N2.ClH/c13-9-10-1-3-11(4-2-10)12-5-7-14-8-6-12;/h1-4,12,14H,5-8H2;1H
InChI Key:
WKZCFNFGOOKBNQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C1CCNCC1.Cl
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.092g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
222.716g/mol
Monoisotopic Mass:
222.092g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties