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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

Structural Alerts

There are no structural alerts for CHEMBL326602

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

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 83447-87-4 78-96-6 1674-56-2 2799-17-9
eMolecules 476541
Human Metabolome Database HMDB12136
KEGG Ligand C05771
Mcule MCULE-6406041538
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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