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1079-83-0 | Benzaldehyde, 4-(butylmethylamino)-
CAS No: 1079-83-0 Catalog No: AG007DOR MDL No:MFCD11156374
Product Description
Catalog Number:
AG007DOR
Chemical Name:
Benzaldehyde, 4-(butylmethylamino)-
CAS Number:
1079-83-0
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
MDL Number:
MFCD11156374
IUPAC Name:
4-[butyl(methyl)amino]benzaldehyde
InChI:
InChI=1S/C12H17NO/c1-3-4-9-13(2)12-7-5-11(10-14)6-8-12/h5-8,10H,3-4,9H2,1-2H3
InChI Key:
CJUNJTPNOCDBFN-UHFFFAOYSA-N
SMILES:
CCCCN(c1ccc(cc1)C=O)C
Properties
Complexity:
162
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:
2.8
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