Summary

IMPPAT Phytochemical identifier: IMPHY013891

Phytochemical name: 1,4-Diamino-2-butanol

Synonymous chemical names:
2-hydroxyputrescine

External chemical identifiers:
CID:164656, SureChEMBL:SCHEMBL21575, MolPort-028-749-750

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Chemical structure information

SMILES:
NCCC(CN)O

InChI:
InChI=1S/C4H12N2O/c5-2-1-4(7)3-6/h4,7H,1-3,5-6H2

InChIKey:
HXMVNCMPQGPRLN-UHFFFAOYSA-N

DeepSMILES:
NCCCCN))O

Functional groups:
CN, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic nitrogen compounds

ClassyFire Class: Organonitrogen compounds

ClassyFire Subclass: Amines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Ornithine alkaloids

NP Classifier Class: Polyamines

NP-Likeness score: 1.53

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Chemical structure download