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28059-64-5 | 2-Benzylaniline
CAS No: 28059-64-5 Catalog No: AG003B69 MDL No:MFCD00007750
Product Description
Catalog Number:
AG003B69
Chemical Name:
2-Benzylaniline
CAS Number:
28059-64-5
Molecular Formula:
C13H13N
Molecular Weight:
183.2490
MDL Number:
MFCD00007750
IUPAC Name:
2-benzylaniline
InChI:
InChI=1S/C13H13N/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10,14H2
InChI Key:
DWOBGCPUQNFAFB-UHFFFAOYSA-N
SMILES:
Nc1ccccc1Cc1ccccc1
EC Number:
248-806-3
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.254g/mol
Monoisotopic Mass:
183.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Synthesis, characterization, and preliminary oxygenation studies of benzyl- and ethyl-substituted pyridine ligands of carboxylate-rich diiron(II) complexes. | Inorganic chemistry 20060123 |
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