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

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

CAS No.:
1969287-47-5
Catalog Number:
AG01B6BP
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01B6BP
Chemical Name:
rac-(2R,6S)-4-benzyl-6-methylmorpholine-2-carbonitrile, trans
CAS Number:
1969287-47-5
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
MDL Number:
MFCD30181809
IUPAC Name:
(2S,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-DGCLKSJQSA-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