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Home > Indoles and Oxindole > 80545-13-7
80545-13-7 | Guanidine, (1,3-dihydro-2H-isoindol-2-yl)-
CAS No: 80545-13-7 Catalog No: AG005KMM MDL No:
Product Description
Catalog Number:
AG005KMM
Chemical Name:
Guanidine, (1,3-dihydro-2H-isoindol-2-yl)-
CAS Number:
80545-13-7
Molecular Formula:
C9H12N4
Molecular Weight:
176.2184
IUPAC Name:
2-(1,3-dihydroisoindol-2-yl)guanidine
InChI:
InChI=1S/C9H12N4/c10-9(11)12-13-5-7-3-1-2-4-8(7)6-13/h1-4H,5-6H2,(H4,10,11,12)
InChI Key:
FXDJPRPAZJKGKY-UHFFFAOYSA-N
SMILES:
NC(=N)NN1Cc2c(C1)cccc2
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.223g/mol
Monoisotopic Mass:
176.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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