Home Nitriles 4-[(1H-imidazol-1-yl)amino]benzonitrile

4-[(1H-imidazol-1-yl)amino]benzonitrile

CAS No.:
854602-59-8
Catalog Number:
AG01B698
Molecular Formula:
C10H8N4
Molecular Weight:
184.1973
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Product Description
Catalog Number:
AG01B698
Chemical Name:
4-[(1H-imidazol-1-yl)amino]benzonitrile
CAS Number:
854602-59-8
Molecular Formula:
C10H8N4
Molecular Weight:
184.1973
MDL Number:
MFCD30342785
IUPAC Name:
4-(imidazol-1-ylamino)benzonitrile
InChI:
InChI=1S/C10H8N4/c11-7-9-1-3-10(4-2-9)13-14-6-5-12-8-14/h1-6,8,13H
InChI Key:
SXZMBWGWQLDSAY-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)Nn1cncc1
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.075g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.202g/mol
Monoisotopic Mass:
184.075g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties