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Home Nitriles 2-[4-(morpholin-4-ylmethyl)phenyl]benzonitrile

2-[4-(morpholin-4-ylmethyl)phenyl]benzonitrile

CAS No.:
938903-87-8
Catalog Number:
AG01AA7A
Molecular Formula:
C18H18N2O
Molecular Weight:
278.3483
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Product Description
Catalog Number:
AG01AA7A
Chemical Name:
2-[4-(morpholin-4-ylmethyl)phenyl]benzonitrile
CAS Number:
938903-87-8
Molecular Formula:
C18H18N2O
Molecular Weight:
278.3483
MDL Number:
MFCD09526527
IUPAC Name:
2-[4-(morpholin-4-ylmethyl)phenyl]benzonitrile
InChI:
InChI=1S/C18H18N2O/c19-13-17-3-1-2-4-18(17)16-7-5-15(6-8-16)14-20-9-11-21-12-10-20/h1-8H,9-12,14H2
InChI Key:
QCWCZJHLJHUGCU-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1c1ccc(cc1)CN1CCOCC1
Properties
Complexity:
361  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.142g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.355g/mol
Monoisotopic Mass:
278.142g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
4-[(2'-Cyano-biphenyl-4-yl)meth-yl]morpholin-4-ium hexa-fluoridophosphate. Acta crystallographica. Section E, Structure reports online 20120501
4-[(2'-Cyano-biphenyl-4-yl)meth-yl]morpholin-4-ium perchlorate. Acta crystallographica. Section E, Structure reports online 20120401
4-[(2'-Cyano-biphen-yl-4-yl)meth-yl]morpholin-4-ium tetra-fluoridoborate. Acta crystallographica. Section E, Structure reports online 20110501
4'-(Morpholino-meth-yl)biphenyl-2-carbonitrile. Acta crystallographica. Section E, Structure reports online 20100801
4-[(2'-Cyano-biphenyl-4-yl)methyl]-morpholin-4-ium nitrate. Acta crystallographica. Section E, Structure reports online 20100801
Properties