Home Nitriles 2-[(piperidin-4-yl)amino]benzonitrile dihydrochloride

2-[(piperidin-4-yl)amino]benzonitrile dihydrochloride

CAS No.:
1955541-05-5
Catalog Number:
AG01B5R7
Molecular Formula:
C12H17Cl2N3
Molecular Weight:
274.1895
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Product Description
Catalog Number:
AG01B5R7
Chemical Name:
2-[(piperidin-4-yl)amino]benzonitrile dihydrochloride
CAS Number:
1955541-05-5
Molecular Formula:
C12H17Cl2N3
Molecular Weight:
274.1895
MDL Number:
MFCD30181208
IUPAC Name:
2-(piperidin-4-ylamino)benzonitrile;dihydrochloride
InChI:
InChI=1S/C12H15N3.2ClH/c13-9-10-3-1-2-4-12(10)15-11-5-7-14-8-6-11;;/h1-4,11,14-15H,5-8H2;2*1H
InChI Key:
UDPBQGVUUIZNLB-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1NC1CCNCC1.Cl.Cl
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.08g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
274.189g/mol
Monoisotopic Mass:
273.08g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties