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100609-71-0 | Benzaldehyde, 4-[[2-(acetyloxy)ethyl]ethylamino]-
CAS No: 100609-71-0 Catalog No: AG0002H6 MDL No:
Product Description
Catalog Number:
AG0002H6
Chemical Name:
Benzaldehyde, 4-[[2-(acetyloxy)ethyl]ethylamino]-
CAS Number:
100609-71-0
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
IUPAC Name:
2-(N-ethyl-4-formylanilino)ethyl acetate
InChI:
InChI=1S/C13H17NO3/c1-3-14(8-9-17-11(2)16)13-6-4-12(10-15)5-7-13/h4-7,10H,3,8-9H2,1-2H3
InChI Key:
VDFFGPXYYUJXAF-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1)C=O)CCOC(=O)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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