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Home > Aldehydes > 894370-38-8
894370-38-8 | 3-[(4-ETHYL-1-PIPERAZINYL)METHYL]-2,5-DIMETHYLBENZALDEHYDE
CAS No: 894370-38-8 Catalog No: AG0088KX MDL No:MFCD07161855
Product Description
Catalog Number:
AG0088KX
Chemical Name:
3-[(4-ETHYL-1-PIPERAZINYL)METHYL]-2,5-DIMETHYLBENZALDEHYDE
CAS Number:
894370-38-8
Molecular Formula:
C16H24N2O
Molecular Weight:
260.3746
MDL Number:
MFCD07161855
IUPAC Name:
3-[(4-ethylpiperazin-1-yl)methyl]-2,5-dimethylbenzaldehyde
InChI:
InChI=1S/C16H24N2O/c1-4-17-5-7-18(8-6-17)11-15-9-13(2)10-16(12-19)14(15)3/h9-10,12H,4-8,11H2,1-3H3
InChI Key:
UBRQZGDMKHLFNE-UHFFFAOYSA-N
SMILES:
CCN1CCN(CC1)Cc1cc(C)cc(c1C)C=O
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.189g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.381g/mol
Monoisotopic Mass:
260.189g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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