Home Other Building Blocks 3-(4H-1,2,4-triazol-4-yl)aniline dihydrochloride

3-(4H-1,2,4-triazol-4-yl)aniline dihydrochloride

CAS No.:
2138341-25-8
Catalog Number:
AG01EI4I
Molecular Formula:
C8H10Cl2N4
Molecular Weight:
233.0978
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Product Description
Catalog Number:
AG01EI4I
Chemical Name:
3-(4H-1,2,4-triazol-4-yl)aniline dihydrochloride
CAS Number:
2138341-25-8
Molecular Formula:
C8H10Cl2N4
Molecular Weight:
233.0978
MDL Number:
MFCD30752558
IUPAC Name:
3-(1,2,4-triazol-4-yl)aniline;dihydrochloride
InChI:
InChI=1S/C8H8N4.2ClH/c9-7-2-1-3-8(4-7)12-5-10-11-6-12;;/h1-6H,9H2;2*1H
InChI Key:
VFINJHRRKWHLPH-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)n1cnnc1.Cl.Cl
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.028g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
233.096g/mol
Monoisotopic Mass:
232.028g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties