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Chem 4 Dimethylaminobenzaldehyde | Cheminformatics

4-Dimethylaminobenzaldehyde


  • SKU Code: CH137286
Chemical Name - 4-Dimethylaminobenzaldehyde
Mol Weight - 149.192
Smiles - CN(C)c1ccc(C=O)cc1
Property Name Property Value
Mol Name4-Dimethylaminobenzaldehyde
Molweight149.192
Monoisotopic Mass149.084064
Clogp1.4893
Clogs-1.976
H Acceptors2
Total Surface Area127.62
Relative Psa0.13
Polar Surface Area20.31
Druglikeness-1.8715
Mutagenicnone
Tumorigenichigh
Reproductive Effectivenone
Irritanthigh
Shape Index0.72727
Molecular Flexibility0.4298
Molecular Complexity0.6089
Fragments1
Non H Atoms11
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds2
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms2
Symmetric Atoms3
Amines1
Aromatic Amines1
SmilesCN(C)c1ccc(C=O)cc1
InChIKeyInChI=1S/C9H11NO/c1-10(2)9-5-3-8(7-11)4-6-9/h3-7H,1-2H3
InChIBGNGWHSBYQYVRX-UHFFFAOYSA-N

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1 - 4-Dimethylaminobenzaldehyde
2 - 4-Dimethylaminobenzaldehyde
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