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Home > Aldehydes > 898911-51-8
898911-51-8 | 3-Quinolinecarboxaldehyde, 2-[4-(cyclohexylmethyl)-1-piperazinyl]-
CAS No: 898911-51-8 Catalog No: AG006OW7 MDL No:
Product Description
Catalog Number:
AG006OW7
Chemical Name:
3-Quinolinecarboxaldehyde, 2-[4-(cyclohexylmethyl)-1-piperazinyl]-
CAS Number:
898911-51-8
Molecular Formula:
C21H27N3O
Molecular Weight:
337.4586
IUPAC Name:
2-[4-(cyclohexylmethyl)piperazin-1-yl]quinoline-3-carbaldehyde
InChI:
InChI=1S/C21H27N3O/c25-16-19-14-18-8-4-5-9-20(18)22-21(19)24-12-10-23(11-13-24)15-17-6-2-1-3-7-17/h4-5,8-9,14,16-17H,1-3,6-7,10-13,15H2
InChI Key:
OLKJJCVSKFYRIL-UHFFFAOYSA-N
SMILES:
O=Cc1cc2ccccc2nc1N1CCN(CC1)CC1CCCCC1
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.215g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.467g/mol
Monoisotopic Mass:
337.215g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
36.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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