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82413-58-9 | 4-[(Diethylamino)methyl]benzaldehyde
CAS No: 82413-58-9 Catalog No: AG01EXJQ MDL No:
Product Description
Catalog Number:
AG01EXJQ
Chemical Name:
4-[(Diethylamino)methyl]benzaldehyde
CAS Number:
82413-58-9
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
IUPAC Name:
4-(diethylaminomethyl)benzaldehyde
InChI:
InChI=1S/C12H17NO/c1-3-13(4-2)9-11-5-7-12(10-14)8-6-11/h5-8,10H,3-4,9H2,1-2H3
InChI Key:
RXQRWFHYALUBCC-UHFFFAOYSA-N
SMILES:
CCN(Cc1ccc(cc1)C=O)CC
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.274g/mol
Monoisotopic Mass:
191.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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