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80980-85-4 | 2-Butanone, 4-[[2-(4-ethenylphenyl)ethyl]propylamino]-
CAS No: 80980-85-4 Catalog No: AG0050IY MDL No:
Product Description
Catalog Number:
AG0050IY
Chemical Name:
2-Butanone, 4-[[2-(4-ethenylphenyl)ethyl]propylamino]-
CAS Number:
80980-85-4
Molecular Formula:
C17H25NO
Molecular Weight:
259.3865
IUPAC Name:
4-[2-(4-ethenylphenyl)ethyl-propylamino]butan-2-one
InChI:
InChI=1S/C17H25NO/c1-4-12-18(13-10-15(3)19)14-11-17-8-6-16(5-2)7-9-17/h5-9H,2,4,10-14H2,1,3H3
InChI Key:
SKONIJFOZXVNSF-UHFFFAOYSA-N
SMILES:
CCCN(CCc1ccc(cc1)C=C)CCC(=O)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.194g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.393g/mol
Monoisotopic Mass:
259.194g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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