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1443345-80-9 | 3-[(4-Ethylpiperazino)methyl]benzaldehyde
CAS No: 1443345-80-9 Catalog No: AG01FBOJ MDL No:
Product Description
Catalog Number:
AG01FBOJ
Chemical Name:
3-[(4-Ethylpiperazino)methyl]benzaldehyde
CAS Number:
1443345-80-9
Molecular Formula:
C14H20N2O
Molecular Weight:
232.3214
IUPAC Name:
3-[(4-ethylpiperazin-1-yl)methyl]benzaldehyde
InChI:
InChI=1S/C14H20N2O/c1-2-15-6-8-16(9-7-15)11-13-4-3-5-14(10-13)12-17/h3-5,10,12H,2,6-9,11H2,1H3
InChI Key:
BCHRODHTLNMHEJ-UHFFFAOYSA-N
SMILES:
CCN1CCN(CC1)Cc1cccc(c1)C=O
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.158g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.327g/mol
Monoisotopic Mass:
232.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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