Home Nitriles 4-(3-amino-2-oxopiperidin-1-yl)benzonitrile

4-(3-amino-2-oxopiperidin-1-yl)benzonitrile

CAS No.:
1342733-43-0
Catalog Number:
AG01A5K7
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
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Product Description
Catalog Number:
AG01A5K7
Chemical Name:
4-(3-amino-2-oxopiperidin-1-yl)benzonitrile
CAS Number:
1342733-43-0
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
MDL Number:
MFCD19679250
IUPAC Name:
4-(3-amino-2-oxopiperidin-1-yl)benzonitrile
InChI:
InChI=1S/C12H13N3O/c13-8-9-3-5-10(6-4-9)15-7-1-2-11(14)12(15)16/h3-6,11H,1-2,7,14H2
InChI Key:
GEUQEZOZOARJDO-UHFFFAOYSA-N
SMILES:
NC1CCCN(C1=O)c1ccc(cc1)C#N
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.106g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
215.256g/mol
Monoisotopic Mass:
215.106g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties