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Home > Aldehydes > 918659-45-7
918659-45-7 | Benzaldehyde, 2-(cyclopropylamino)-4-(4-ethyl-1-piperazinyl)-5-fluoro-
CAS No: 918659-45-7 Catalog No: AG006C77 MDL No:
Product Description
Catalog Number:
AG006C77
Chemical Name:
Benzaldehyde, 2-(cyclopropylamino)-4-(4-ethyl-1-piperazinyl)-5-fluoro-
CAS Number:
918659-45-7
Molecular Formula:
C16H22FN3O
Molecular Weight:
291.3638
IUPAC Name:
2-(cyclopropylamino)-4-(4-ethylpiperazin-1-yl)-5-fluorobenzaldehyde
InChI:
InChI=1S/C16H22FN3O/c1-2-19-5-7-20(8-6-19)16-10-15(18-13-3-4-13)12(11-21)9-14(16)17/h9-11,13,18H,2-8H2,1H3
InChI Key:
QKWUGWVPAMDIOC-UHFFFAOYSA-N
SMILES:
CCN1CCN(CC1)c1cc(NC2CC2)c(cc1F)C=O
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.175g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.37g/mol
Monoisotopic Mass:
291.175g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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