Home Other Building Blocks 4-phenyl-4H-1,2,4-triazol-3-amine hydrochloride

4-phenyl-4H-1,2,4-triazol-3-amine hydrochloride

CAS No.:
1803587-90-7
Catalog Number:
AG01B9QT
Molecular Formula:
C8H9ClN4
Molecular Weight:
196.6369
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Product Description
Catalog Number:
AG01B9QT
Chemical Name:
4-phenyl-4H-1,2,4-triazol-3-amine hydrochloride
CAS Number:
1803587-90-7
Molecular Formula:
C8H9ClN4
Molecular Weight:
196.6369
MDL Number:
MFCD28383957
IUPAC Name:
4-phenyl-1,2,4-triazol-3-amine;hydrochloride
InChI:
InChI=1S/C8H8N4.ClH/c9-8-11-10-6-12(8)7-4-2-1-3-5-7;/h1-6H,(H2,9,11);1H
InChI Key:
QZMVVRTXXCITEO-UHFFFAOYSA-N
SMILES:
Nc1nncn1c1ccccc1.Cl
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.052g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
196.638g/mol
Monoisotopic Mass:
196.052g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties