Home Nitriles 4-aminocinnoline-3-carbonitrile

4-aminocinnoline-3-carbonitrile

CAS No.:
63924-09-4
Catalog Number:
AG01AK5J
Molecular Formula:
C9H6N4
Molecular Weight:
170.1707
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Product Description
Catalog Number:
AG01AK5J
Chemical Name:
4-aminocinnoline-3-carbonitrile
CAS Number:
63924-09-4
Molecular Formula:
C9H6N4
Molecular Weight:
170.1707
MDL Number:
MFCD19982436
IUPAC Name:
4-aminocinnoline-3-carbonitrile
InChI:
InChI=1S/C9H6N4/c10-5-8-9(11)6-3-1-2-4-7(6)12-13-8/h1-4H,(H2,11,12)
InChI Key:
KHULBBOZCOBYHE-UHFFFAOYSA-N
SMILES:
N#Cc1nnc2c(c1N)cccc2
NSC Number:
701012
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.059g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.175g/mol
Monoisotopic Mass:
170.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties