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Home > Imidazoles > 129410-37-3
129410-37-3 | 1-{[3-(1H-1,2,3-Benzotriazol-1-ylmethyl)imidazolidin-1-yl]methyl}-1H-1,2,3-benzotriazole
CAS No: 129410-37-3 Catalog No: AG01ERZN MDL No:
Product Description
Catalog Number:
AG01ERZN
Chemical Name:
1-{[3-(1H-1,2,3-Benzotriazol-1-ylmethyl)imidazolidin-1-yl]methyl}-1H-1,2,3-benzotriazole
CAS Number:
129410-37-3
Molecular Formula:
C17H18N8
Molecular Weight:
334.3784
IUPAC Name:
1-[[3-(benzotriazol-1-ylmethyl)imidazolidin-1-yl]methyl]benzotriazole
InChI:
InChI=1S/C17H18N8/c1-3-7-16-14(5-1)18-20-24(16)12-22-9-10-23(11-22)13-25-17-8-4-2-6-15(17)19-21-25/h1-8H,9-13H2
InChI Key:
SUCRJFKCASQPQQ-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)n(nn2)CN1CCN(C1)Cn1nnc2c1cccc2
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.165g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.387g/mol
Monoisotopic Mass:
334.165g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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