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

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

CAS No.:
750599-22-5
Catalog Number:
AG019M7Y
Molecular Formula:
C8H9N5
Molecular Weight:
175.1906
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Product Description
Catalog Number:
AG019M7Y
Chemical Name:
2-methyl-3-(1H-1,2,3,4-tetrazol-1-yl)aniline
CAS Number:
750599-22-5
Molecular Formula:
C8H9N5
Molecular Weight:
175.1906
MDL Number:
MFCD06335065
IUPAC Name:
2-methyl-3-(tetrazol-1-yl)aniline
InChI:
InChI=1S/C8H9N5/c1-6-7(9)3-2-4-8(6)13-5-10-11-12-13/h2-5H,9H2,1H3
InChI Key:
OALSJBQUHRHSOK-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1C)n1cnnn1
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:
0.8  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties