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125038-15-5 | Ethenamine, 2-(1-[1,1'-biphenyl]-4-yl-1H-tetrazol-5-yl)-N,N-dimethyl-
CAS No: 125038-15-5 Catalog No: AG000N08 MDL No:
Product Description
Catalog Number:
AG000N08
Chemical Name:
Ethenamine, 2-(1-[1,1'-biphenyl]-4-yl-1H-tetrazol-5-yl)-N,N-dimethyl-
CAS Number:
125038-15-5
Molecular Formula:
C17H17N5
Molecular Weight:
291.3504
IUPAC Name:
N,N-dimethyl-2-[1-(4-phenylphenyl)tetrazol-5-yl]ethenamine
InChI:
InChI=1S/C17H17N5/c1-21(2)13-12-17-18-19-20-22(17)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-13H,1-2H3
InChI Key:
IDMFUJVGVCRTNX-UHFFFAOYSA-N
SMILES:
CN(C=Cc1nnnn1c1ccc(cc1)c1ccccc1)C
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.148g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.358g/mol
Monoisotopic Mass:
291.148g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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