Home Nitriles 4-[(2-methylphenyl)methyl]morpholine-2-carbonitrile

4-[(2-methylphenyl)methyl]morpholine-2-carbonitrile

CAS No.:
1466551-41-6
Catalog Number:
AG01BRS6
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
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Product Description
Catalog Number:
AG01BRS6
Chemical Name:
4-[(2-methylphenyl)methyl]morpholine-2-carbonitrile
CAS Number:
1466551-41-6
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
MDL Number:
MFCD24742628
IUPAC Name:
4-[(2-methylphenyl)methyl]morpholine-2-carbonitrile
InChI:
InChI=1S/C13H16N2O/c1-11-4-2-3-5-12(11)9-15-6-7-16-13(8-14)10-15/h2-5,13H,6-7,9-10H2,1H3
InChI Key:
OBFGLZJBVNPRQH-UHFFFAOYSA-N
SMILES:
N#CC1OCCN(C1)Cc1ccccc1C
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.126g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.284g/mol
Monoisotopic Mass:
216.126g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties