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82413-61-4 | 4-[(Di-iso-butylamino)methyl]benzaldehyde
CAS No: 82413-61-4 Catalog No: AG01EXJS MDL No:
Product Description
Catalog Number:
AG01EXJS
Chemical Name:
4-[(Di-iso-butylamino)methyl]benzaldehyde
CAS Number:
82413-61-4
Molecular Formula:
C16H25NO
Molecular Weight:
247.3758
IUPAC Name:
4-[[bis(2-methylpropyl)amino]methyl]benzaldehyde
InChI:
InChI=1S/C16H25NO/c1-13(2)9-17(10-14(3)4)11-15-5-7-16(12-18)8-6-15/h5-8,12-14H,9-11H2,1-4H3
InChI Key:
KVLBFEUBEAIYMG-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)CN(CC(C)C)CC(C)C
Properties
Complexity:
219
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:
7
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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