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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL326602
CHEMBL326602
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C3H9NO

Additional synonyms for CHEMBL326602 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(O)CN
Standard InChI InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3
Standard InChI Key HXKKHQJGJAFBHI-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL326602

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
75.1 75.0684 -0.81 1 46.25 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 2 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.92 9.19 -1.13 -3.44 0 5 0.43

Structural Alerts

There are no structural alerts for CHEMBL326602

Compound Cross References

ChemSpider ChemSpider:HXKKHQJGJAFBHI-UHFFFAOYSA-N
PubChem SID: 144212021
Wikipedia 1-Amino-2-propanol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL326602



ACToR 78-96-6 83447-87-4 1674-56-2 2799-17-9
Brenda 29958 12280 93738 12740 31968
ChEBI 19030
eMolecules 476541
EPA CompTox Dashboard DTXSID9021764
Human Metabolome Database HMDB0012136
KEGG Ligand C05771
Mcule MCULE-6406041538
Metabolights MTBLC19030
MolPort MolPort-001-789-469
Nikkaji J2.150D J1.961E
NMRShiftDB 10024069
PubChem 4
PubChem: Thomson Pharma 15194157
SureChEMBL SCHEMBL9387

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/HXKKHQJGJAFBHI-UHFFFAOYSA-N spacer
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