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188715-09-5 | 4H-1,2,4-Triazolium, 1,1'-methylenebis[4-amino-, bromide (1:2)
CAS No: 188715-09-5 Catalog No: AG002H7F MDL No:
Product Description
Catalog Number:
AG002H7F
Chemical Name:
4H-1,2,4-Triazolium, 1,1'-methylenebis[4-amino-, bromide (1:2)
CAS Number:
188715-09-5
Molecular Formula:
C5H10Br2N8
Molecular Weight:
341.9945
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;dibromide
InChI:
InChI=1S/C5H12N8.2BrH/c6-10-1-8-12(3-10)5-13-4-11(7)2-9-13;;/h1-2H,3-7H2;2*1H
InChI Key:
ANFWUXJYVWBCAQ-UHFFFAOYSA-N
SMILES:
Nn1cn[n+](c1)C[n+]1ncn(c1)N.[Br-].[Br-]
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.969g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
346.031g/mol
Monoisotopic Mass:
343.971g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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