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861393-75-1 | N-Cyano-N'-5-quinolinylguanidine
CAS No: 861393-75-1 Catalog No: AG00GTWA MDL No:
Product Description
Catalog Number:
AG00GTWA
Chemical Name:
N-Cyano-N'-5-quinolinylguanidine
CAS Number:
861393-75-1
Molecular Formula:
C11H9N5
Molecular Weight:
211.2227
IUPAC Name:
1-cyano-2-quinolin-5-ylguanidine
InChI:
InChI=1S/C11H9N5/c12-7-15-11(13)16-10-5-1-4-9-8(10)3-2-6-14-9/h1-6H,(H3,13,15,16)
InChI Key:
SKVFKJPOYOQXMA-UHFFFAOYSA-N
SMILES:
N#C/N=C(/Nc1cccc2c1cccn2)\N
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.086g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.228g/mol
Monoisotopic Mass:
211.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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