Summary

IMPPAT Phytochemical identifier: IMPHY004068

Phytochemical name: 3-Diazotyramine hydrochloride

Synonymous chemical names:
3-diazotyramine

External chemical identifiers:
CID:3028066

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Chemical structure information

SMILES:
NCCc1ccc(c(c1)[N+]#N)[O-].Cl

InChI:
InChI=1S/C8H9N3O.ClH/c9-4-3-6-1-2-8(12)7(5-6)11-10;/h1-2,5H,3-4,9H2;1H

InChIKey:
IKBSGRILSGXEFM-UHFFFAOYSA-N

DeepSMILES:
NCCcccccc6)[N+]#N)))[O-].Cl

Functional groups:
CN, Cl, c[N+]#N, c[O-]

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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: Phenethylamines

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: 0.123

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Chemical structure download