Home Nitriles 4-benzyl-3-(hydroxymethyl)morpholine-3-carbonitrile

4-benzyl-3-(hydroxymethyl)morpholine-3-carbonitrile

CAS No.:
1823268-62-7
Catalog Number:
AG01DZ1Y
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
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Product Description
Catalog Number:
AG01DZ1Y
Chemical Name:
4-benzyl-3-(hydroxymethyl)morpholine-3-carbonitrile
CAS Number:
1823268-62-7
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
MDL Number:
MFCD27664892
IUPAC Name:
4-benzyl-3-(hydroxymethyl)morpholine-3-carbonitrile
InChI:
InChI=1S/C13H16N2O2/c14-9-13(10-16)11-17-7-6-15(13)8-12-4-2-1-3-5-12/h1-5,16H,6-8,10-11H2
InChI Key:
IMTYGAZQGQFWIH-UHFFFAOYSA-N
SMILES:
OCC1(C#N)COCCN1Cc1ccccc1
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties