Home Nitriles rac-(2R,6R)-4-benzyl-6-methylmorpholine-2-carbonitrile, cis

rac-(2R,6R)-4-benzyl-6-methylmorpholine-2-carbonitrile, cis

CAS No.:
1812220-67-9
Catalog Number:
AG01B6BO
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
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Product Description
Catalog Number:
AG01B6BO
Chemical Name:
rac-(2R,6R)-4-benzyl-6-methylmorpholine-2-carbonitrile, cis
CAS Number:
1812220-67-9
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
MDL Number:
MFCD30181795
IUPAC Name:
(2R,6R)-4-benzyl-6-methylmorpholine-2-carbonitrile
InChI:
InChI=1S/C13H16N2O/c1-11-8-15(10-13(7-14)16-11)9-12-5-3-2-4-6-12/h2-6,11,13H,8-10H2,1H3/t11-,13+/m1/s1
InChI Key:
CFPNZEFGACMFGY-YPMHNXCESA-N
SMILES:
N#C[C@@H]1O[C@H](C)CN(C1)Cc1ccccc1
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties