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78868-04-9 | Ethanamine, 2-[1-phenyl-1-(2-pyridinyl)ethoxy]-
CAS No: 78868-04-9 Catalog No: AG005537 MDL No:
Product Description
Catalog Number:
AG005537
Chemical Name:
Ethanamine, 2-[1-phenyl-1-(2-pyridinyl)ethoxy]-
CAS Number:
78868-04-9
Molecular Formula:
C15H18N2O
Molecular Weight:
242.3162
IUPAC Name:
2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine
InChI:
InChI=1S/C15H18N2O/c1-15(18-12-10-16,13-7-3-2-4-8-13)14-9-5-6-11-17-14/h2-9,11H,10,12,16H2,1H3
InChI Key:
TWDYZENQYRFODS-UHFFFAOYSA-N
SMILES:
NCCOC(c1ccccn1)(c1ccccc1)C
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.322g/mol
Monoisotopic Mass:
242.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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