Home Other Building Blocks 4-methyl-3-(1H-1,2,3,4-tetrazol-1-yl)aniline

4-methyl-3-(1H-1,2,3,4-tetrazol-1-yl)aniline

CAS No.:
926262-71-7
Catalog Number:
AG019MC8
Molecular Formula:
C8H9N5
Molecular Weight:
175.1906
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Product Description
Catalog Number:
AG019MC8
Chemical Name:
4-methyl-3-(1H-1,2,3,4-tetrazol-1-yl)aniline
CAS Number:
926262-71-7
Molecular Formula:
C8H9N5
Molecular Weight:
175.1906
MDL Number:
MFCD09046565
IUPAC Name:
4-methyl-3-(tetrazol-1-yl)aniline
InChI:
InChI=1S/C8H9N5/c1-6-2-3-7(9)4-8(6)13-5-10-11-12-13/h2-5H,9H2,1H3
InChI Key:
VCANBIWZOKQTPT-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)n1cnnn1)C
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.086g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
175.195g/mol
Monoisotopic Mass:
175.086g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties