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1443346-66-4 | 3-[(Di-n-butylamino)methyl]benzaldehyde
CAS No: 1443346-66-4 Catalog No: AG01FCEW MDL No:
Product Description
Catalog Number:
AG01FCEW
Chemical Name:
3-[(Di-n-butylamino)methyl]benzaldehyde
CAS Number:
1443346-66-4
Molecular Formula:
C16H25NO
Molecular Weight:
247.3758
IUPAC Name:
3-[(dibutylamino)methyl]benzaldehyde
InChI:
InChI=1S/C16H25NO/c1-3-5-10-17(11-6-4-2)13-15-8-7-9-16(12-15)14-18/h7-9,12,14H,3-6,10-11,13H2,1-2H3
InChI Key:
XSOMVOWRXOGYHQ-UHFFFAOYSA-N
SMILES:
CCCCN(Cc1cccc(c1)C=O)CCCC
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.194g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.382g/mol
Monoisotopic Mass:
247.194g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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