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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL19823
CHEMBL19823
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C6H18N4

Additional synonyms for CHEMBL19823 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCN(CCN)CCN
Standard InChI InChI=1S/C6H18N4/c7-1-4-10(5-2-8)6-3-9/h1-9H2
Standard InChI Key MBYLVOKEDDQJDY-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL19823

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
146.2 146.1531 -1.84 6 81.3 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 4 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10 -2.66 -7.4 0 10 0.41

Structural Alerts

There are 2 structural alerts for CHEMBL19823. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MBYLVOKEDDQJDY-UHFFFAOYSA-N
Wikipedia Tris(2-aminoethyl)amine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL19823



ACToR 4097-89-6
Brenda 50320 50319 103705
ChEBI 30631
ChemicalBook CB0235693
eMolecules 489796
EPA CompTox Dashboard DTXSID4063296
IBM Patent System E6272A010BF6B76AF6D6F16583E0BE26 A391A735405CDED488915693ADF204EE
Mcule MCULE-3714753420
MolPort MolPort-001-789-617
Nikkaji J25.779F
NMRShiftDB 20208022
PubChem 77731
PubChem: Thomson Pharma 15297407
SureChEMBL SCHEMBL33394
ZINC ZINC000005828664

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