Home Other Building Blocks 4-[(1H-1,2,3,4-tetrazol-5-yl)methyl]aniline dihydrochloride

4-[(1H-1,2,3,4-tetrazol-5-yl)methyl]aniline dihydrochloride

CAS No.:
2138054-15-4
Catalog Number:
AG01EI6R
Molecular Formula:
C8H11Cl2N5
Molecular Weight:
248.1124
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Product Description
Catalog Number:
AG01EI6R
Chemical Name:
4-[(1H-1,2,3,4-tetrazol-5-yl)methyl]aniline dihydrochloride
CAS Number:
2138054-15-4
Molecular Formula:
C8H11Cl2N5
Molecular Weight:
248.1124
MDL Number:
MFCD31559298
IUPAC Name:
4-(2H-tetrazol-5-ylmethyl)aniline;dihydrochloride
InChI:
InChI=1S/C8H9N5.2ClH/c9-7-3-1-6(2-4-7)5-8-10-12-13-11-8;;/h1-4H,5,9H2,(H,10,11,12,13);2*1H
InChI Key:
BRDJXXYGLRURHY-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Cc1nnn[nH]1.Cl.Cl
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.039g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
248.111g/mol
Monoisotopic Mass:
247.039g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties