Summary

IMPPAT Phytochemical identifier: IMPHY006150

Phytochemical name: 4-(Dimethylamino)benzaldehyde

Synonymous chemical names:
4-dimethyl-amino-benzaldehyde, p-dimethylaminobenzaldehyde

External chemical identifiers:
CID:7479, ChEMBL:CHEMBL3188333, ChEBI:91114, ZINC:ZINC000001686989, FDASRS:V7E88PR1YB, SureChEMBL:SCHEMBL61517, MolPort-000-871-201

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Chemical structure information

SMILES:
O=Cc1ccc(cc1)N(C)C

InChI:
InChI=1S/C9H11NO/c1-10(2)9-5-3-8(7-11)4-6-9/h3-7H,1-2H3

InChIKey:
BGNGWHSBYQYVRX-UHFFFAOYSA-N

DeepSMILES:
O=Ccccccc6))NC)C

Functional groups:
cC=O, cN(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Benzoyl derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: -0.565

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Chemical structure download