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126534-93-8 | Carbonimidic dihydrazide, 2,2'-bis[[3-(aminoiminomethyl)phenyl]methylene]-, hydrochloride (1:3)
CAS No: 126534-93-8 Catalog No: AG000SWX MDL No:
Product Description
Catalog Number:
AG000SWX
Chemical Name:
Carbonimidic dihydrazide, 2,2'-bis[[3-(aminoiminomethyl)phenyl]methylene]-, hydrochloride (1:3)
CAS Number:
126534-93-8
Molecular Formula:
C17H22Cl3N9
Molecular Weight:
458.7759
IUPAC Name:
1,2-bis[(3-methanehydrazonoylphenyl)methylideneamino]guanidine;trihydrochloride
InChI:
InChI=1S/C17H19N9.3ClH/c18-17(25-23-11-15-5-1-3-13(7-15)9-21-19)26-24-12-16-6-2-4-14(8-16)10-22-20;;;/h1-12H,19-20H2,(H3,18,25,26);3*1H
InChI Key:
IOTYDVCPMYSVON-UHFFFAOYSA-N
SMILES:
NN=Cc1cccc(c1)C=NNC(=N)NN=Cc1cccc(c1)C=NN.Cl.Cl.Cl
Properties
Complexity:
552
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
457.106g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
458.776g/mol
Monoisotopic Mass:
457.106g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
5
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