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Home > Aldehydes > 1156172-81-4
1156172-81-4 | 4-{methyl[(thiophen-2-yl)methyl]amino}benzaldehyde
CAS No: 1156172-81-4 Catalog No: AG01AUPG MDL No:MFCD12191664
Product Description
Catalog Number:
AG01AUPG
Chemical Name:
4-{methyl[(thiophen-2-yl)methyl]amino}benzaldehyde
CAS Number:
1156172-81-4
Molecular Formula:
C13H13NOS
Molecular Weight:
231.3134
MDL Number:
MFCD12191664
IUPAC Name:
4-[methyl(thiophen-2-ylmethyl)amino]benzaldehyde
InChI:
InChI=1S/C13H13NOS/c1-14(9-13-3-2-8-16-13)12-6-4-11(10-15)5-7-12/h2-8,10H,9H2,1H3
InChI Key:
OQSQTNZVHFRWIX-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)N(Cc1cccs1)C
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.072g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.313g/mol
Monoisotopic Mass:
231.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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