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61337-88-0

61337-88-0 | 1-(3-Cyanopyridyl-2)-2-Phenyl-4-Methylpyperazine

CAS No: 61337-88-0 Catalog No: AG00EFAA MDL No:

Product Description

Catalog Number:
AG00EFAA
Chemical Name:
1-(3-Cyanopyridyl-2)-2-Phenyl-4-Methylpyperazine
CAS Number:
61337-88-0
Molecular Formula:
C17H18N4
Molecular Weight:
278.3516
IUPAC Name:
2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carbonitrile
InChI:
InChI=1S/C17H18N4/c1-20-10-11-21(17-15(12-18)8-5-9-19-17)16(13-20)14-6-3-2-4-7-14/h2-9,16H,10-11,13H2,1H3
InChI Key:
DHUHYBBSQWQGSN-UHFFFAOYSA-N
SMILES:
N#Cc1cccnc1N1CCN(CC1c1ccccc1)C

Properties

Complexity:
382  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.153g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.359g/mol
Monoisotopic Mass:
278.153g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

Literature

Title Journal
2-(4-Methyl-2-phenyl-piperazin-4-ium-1-yl)pyridine-3-carboxyl-ate dihydrate. Acta crystallographica. Section E, Structure reports online 20080701

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