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138887-86-2 | Ethanone, 1-[4-[(1H-imidazol-5-ylmethyl)amino]phenyl]-
CAS No: 138887-86-2 Catalog No: AG0019R2 MDL No:
Product Description
Catalog Number:
AG0019R2
Chemical Name:
Ethanone, 1-[4-[(1H-imidazol-5-ylmethyl)amino]phenyl]-
CAS Number:
138887-86-2
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
IUPAC Name:
1-[4-(1H-imidazol-5-ylmethylamino)phenyl]ethanone
InChI:
InChI=1S/C12H13N3O/c1-9(16)10-2-4-11(5-3-10)14-7-12-6-13-8-15-12/h2-6,8,14H,7H2,1H3,(H,13,15)
InChI Key:
OMOXOTINFUQBDD-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)NCc1cnc[nH]1
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.256g/mol
Monoisotopic Mass:
215.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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