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113944-26-6 | Methanamine, N-[2-(1H-imidazol-1-yl)-1-phenylethylidene]-, N-oxide
CAS No: 113944-26-6 Catalog No: AG000A4A MDL No:
Product Description
Catalog Number:
AG000A4A
Chemical Name:
Methanamine, N-[2-(1H-imidazol-1-yl)-1-phenylethylidene]-, N-oxide
CAS Number:
113944-26-6
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
IUPAC Name:
2-imidazol-1-yl-N-methyl-1-phenylethanimine oxide
InChI:
InChI=1S/C12H13N3O/c1-14(16)12(9-15-8-7-13-10-15)11-5-3-2-4-6-11/h2-8,10H,9H2,1H3
InChI Key:
QAALEXJCRCMAAC-UHFFFAOYSA-N
SMILES:
[O-][N+](=C(c1ccccc1)Cn1cncc1)C
Properties
Complexity:
259
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:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.256g/mol
Monoisotopic Mass:
215.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.1
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