Home Halogens 2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethan-1-amine dihydrochloride

2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethan-1-amine dihydrochloride

CAS No.:
1803561-96-7
Catalog Number:
AG01B9H7
Molecular Formula:
C10H13Cl3N4
Molecular Weight:
295.5960
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Product Description
Catalog Number:
AG01B9H7
Chemical Name:
2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethan-1-amine dihydrochloride
CAS Number:
1803561-96-7
Molecular Formula:
C10H13Cl3N4
Molecular Weight:
295.5960
MDL Number:
MFCD28383866
IUPAC Name:
2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethanamine;dihydrochloride
InChI:
InChI=1S/C10H11ClN4.2ClH/c11-8-3-1-7(2-4-8)10-13-9(5-6-12)14-15-10;;/h1-4H,5-6,12H2,(H,13,14,15);2*1H
InChI Key:
BDKDPJXPYUZOEX-UHFFFAOYSA-N
SMILES:
NCCc1[nH]nc(n1)c1ccc(cc1)Cl.Cl.Cl
Properties
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.021g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
295.592g/mol
Monoisotopic Mass:
294.021g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties