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102331-12-4 | Guanidine, N-2-quinazolinyl-
CAS No: 102331-12-4 Catalog No: AG000780 MDL No:
Product Description
Catalog Number:
AG000780
Chemical Name:
Guanidine, N-2-quinazolinyl-
CAS Number:
102331-12-4
Molecular Formula:
C9H9N5
Molecular Weight:
187.2013
IUPAC Name:
2-quinazolin-2-ylguanidine
InChI:
InChI=1S/C9H9N5/c10-8(11)14-9-12-5-6-3-1-2-4-7(6)13-9/h1-5H,(H4,10,11,12,13,14)
InChI Key:
MELYYJJKRWTTNN-UHFFFAOYSA-N
SMILES:
NC(=N)Nc1ncc2c(n1)cccc2
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.086g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.206g/mol
Monoisotopic Mass:
187.086g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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