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82413-60-3 | 4-[(Di-n-butylamino)methyl]benzaldehyde
CAS No: 82413-60-3 Catalog No: AG01EXJR MDL No:
Product Description
Catalog Number:
AG01EXJR
Chemical Name:
4-[(Di-n-butylamino)methyl]benzaldehyde
CAS Number:
82413-60-3
Molecular Formula:
C16H25NO
Molecular Weight:
247.3758
IUPAC Name:
4-[(dibutylamino)methyl]benzaldehyde
InChI:
InChI=1S/C16H25NO/c1-3-5-11-17(12-6-4-2)13-15-7-9-16(14-18)10-8-15/h7-10,14H,3-6,11-13H2,1-2H3
InChI Key:
UCVBRNYVYTYCIK-UHFFFAOYSA-N
SMILES:
CCCCN(Cc1ccc(cc1)C=O)CCCC
Properties
Complexity:
201
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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