Home Other Building Blocks 4H-1,2,4-triazole-3,4-diamine hydrobromide

4H-1,2,4-triazole-3,4-diamine hydrobromide

CAS No.:
23160-99-8
Catalog Number:
AG019O0E
Molecular Formula:
C2H6BrN5
Molecular Weight:
180.0065
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Product Description
Catalog Number:
AG019O0E
Chemical Name:
4H-1,2,4-triazole-3,4-diamine hydrobromide
CAS Number:
23160-99-8
Molecular Formula:
C2H6BrN5
Molecular Weight:
180.0065
MDL Number:
MFCD06675577
IUPAC Name:
1,2,4-triazole-3,4-diamine;hydrobromide
InChI:
InChI=1S/C2H5N5.BrH/c3-2-6-5-1-7(2)4;/h1H,4H2,(H2,3,6);1H
InChI Key:
WSWJCUIRWLJNOU-UHFFFAOYSA-N
SMILES:
Nn1cnnc1N.Br
Properties
Complexity:
63.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.981g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
180.009g/mol
Monoisotopic Mass:
178.981g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties