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188715-10-8 | 1H-1,2,4-Triazolium, 1,1'-methylenebis[4-amino- (9CI)
CAS No: 188715-10-8 Catalog No: AG002H7E MDL No:
Product Description
Catalog Number:
AG002H7E
Chemical Name:
1H-1,2,4-Triazolium, 1,1'-methylenebis[4-amino- (9CI)
CAS Number:
188715-10-8
Molecular Formula:
C5H14N8++
Molecular Weight:
186.2183
IUPAC Name:
1-[(4-amino-1,5-dihydro-1,2,4-triazol-1-ium-1-yl)methyl]-1,5-dihydro-1,2,4-triazol-1-ium-4-amine
InChI:
InChI=1S/C5H12N8/c6-10-1-8-12(3-10)5-13-4-11(7)2-9-13/h1-2H,3-7H2/p+2
InChI Key:
UAUPSXIPCRCJCD-UHFFFAOYSA-P
SMILES:
NN1C=N[NH+](C1)C[NH+]1N=CN(C1)N
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.134g/mol
Formal Charge:
2
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
186.223g/mol
Monoisotopic Mass:
186.134g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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