Summary

IMPPAT Phytochemical identifier: IMPHY007126

Phytochemical name: 2-Aminobenzaldehyde

Synonymous chemical names:
2-aminobenzaldehyde

External chemical identifiers:
CID:68255, ZINC:ZINC000004202514, SureChEMBL:SCHEMBL25505, MolPort-001-781-443

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Chemical structure information

SMILES:
O=Cc1ccccc1N

InChI:
InChI=1S/C7H7NO/c8-7-4-2-1-3-6(7)5-9/h1-5H,8H2

InChIKey:
FXWFZIRWWNPPOV-UHFFFAOYSA-N

DeepSMILES:
O=Ccccccc6N

Functional groups:
cC=O, cN

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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: Amino acids and Peptides, Shikimates and Phenylpropanoids

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: 0.093

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Chemical structure download