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89787-69-9 | Propanenitrile, 3-[2-(ethylphenylamino)ethoxy]-
CAS No: 89787-69-9 Catalog No: AG003ZW0 MDL No:
Product Description
Catalog Number:
AG003ZW0
Chemical Name:
Propanenitrile, 3-[2-(ethylphenylamino)ethoxy]-
CAS Number:
89787-69-9
Molecular Formula:
C13H18N2O
Molecular Weight:
218.2948
IUPAC Name:
3-[2-(N-ethylanilino)ethoxy]propanenitrile
InChI:
InChI=1S/C13H18N2O/c1-2-15(10-12-16-11-6-9-14)13-7-4-3-5-8-13/h3-5,7-8H,2,6,10-12H2,1H3
InChI Key:
JUOBFGBESWSSIP-UHFFFAOYSA-N
SMILES:
N#CCCOCCN(c1ccccc1)CC
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.3g/mol
Monoisotopic Mass:
218.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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