Home Nitriles 3-(cyclobutylamino)benzonitrile

3-(cyclobutylamino)benzonitrile

CAS No.:
1248517-44-3
Catalog Number:
AG01B05M
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01B05M
Chemical Name:
3-(cyclobutylamino)benzonitrile
CAS Number:
1248517-44-3
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
MDL Number:
MFCD16107958
IUPAC Name:
3-(cyclobutylamino)benzonitrile
InChI:
InChI=1S/C11H12N2/c12-8-9-3-1-6-11(7-9)13-10-4-2-5-10/h1,3,6-7,10,13H,2,4-5H2
InChI Key:
PJYURDCNCGPZIN-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)NC1CCC1
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.1g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.231g/mol
Monoisotopic Mass:
172.1g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties