Home Other Building Blocks Benzenamine, 4-(2H-tetrazol-5-ylmethyl)-

Benzenamine, 4-(2H-tetrazol-5-ylmethyl)-

CAS No.:
131117-50-5
Catalog Number:
AG000VJK
Molecular Formula:
C8H9N5
Molecular Weight:
175.1906
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Product Description
Catalog Number:
AG000VJK
Chemical Name:
Benzenamine, 4-(2H-tetrazol-5-ylmethyl)-
CAS Number:
131117-50-5
Molecular Formula:
C8H9N5
Molecular Weight:
175.1906
IUPAC Name:
4-(2H-tetrazol-5-ylmethyl)aniline
InChI:
InChI=1S/C8H9N5/c9-7-3-1-6(2-4-7)5-8-10-12-13-11-8/h1-4H,5,9H2,(H,10,11,12,13)
InChI Key:
RBOMWIFRDXGSMQ-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Cc1n[nH]nn1
Properties
Complexity:
155  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
175.195g/mol
Monoisotopic Mass:
175.086g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties