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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1183
CHEMBL1183
Compound Name DIETHYLAMINOETHANOL
ChEMBL Synonyms Diethylaminoethanol
Max Phase 0
Trade Names
Molecular Formula C6H15NO

Additional synonyms for CHEMBL1183 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CC)CCO
Standard InChI InChI=1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3
Standard InChI Key BFSVOASYOCHEOV-UHFFFAOYSA-N

Structural Alerts

There are no structural alerts for CHEMBL1183

Alternate Forms of Compound in ChEMBL


CHEMBL1183

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
117.2 117.1154 0.48 4 23.47 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.79 .77 -1.54 0 8 0.58

Compound Cross References

ChemSpider ChemSpider:BFSVOASYOCHEOV-UHFFFAOYSA-N
PubChem SID: 144208661 SID: 144210357 SID: 17389618 SID: 56462764
Wikipedia Diethylethanolamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1183



ACToR 100-37-8
ChEBI 52153
eMolecules 483424
FDA SRS S6DL4M053U
Human Metabolome Database HMDB33971
IBM Patent System DCD03789254072E281F7B06FB0E71F61
IBM Patents US20040204501 EP2038701A2 US20100152283 WO2007067957A1 EP2136634A1 US6140351 US20080038276 EP1278744A1 EP0382185A2 EP2181132A2 US20090143462 EP1235807A1 WO2005011635A2 US6498222 US20100234364 WO2007061763A2 US7790364 WO1996041638A1 US7589206 EP2155675A1 WO2006125178A3 EP0761668A2 WO2007027966A2 US20100173923 EP0912518A1 EP0888344A1 US20050002867 US20030236270 US20030190286 EP2197835A1 WO2005035528A2 EP0320085B1 EP1265606B9 WO2000071515A2 WO2000066572A1 US5488057 EP0583578B1 WO1999066919A1 US20100056527 US20060116395 EP1229390A1 US20050004140 EP2205083A1 US20020193612 US7700641 US20030203954 US7317102 US20090186905 EP2142524A1 EP2078711A1 WO2007149427A3 US20030065175 WO2004065378A1 US20090111782 US20020147160 WO2010075636A1 EP1537084A1 US20080280916 US6245809 EP1957076A2 US20100113492 WO2006119168A2 US7582659 US4055660 WO2007041630A1 EP0923536A1 EP1877067A1 US20080078289 US20050004117 US5127968 US20060205777 US20040237217 WO2008091604A1 EP0393578B1 US4009077 US20080014207 US20100113539 US20090258202 EP1682550A1 EP0396431A1 US20030186914 EP1284967A1 US20060029657 US7825244 EP0761787A2 EP1412357A1 US7718667 EP0403313B1 US20040111955 WO2001016120A1 WO2000010996A1 US7786307 WO2004058730A2 US6071936 US20090182145 WO2009012430A1 US20080312278 WO2003018586A1 EP0747467B1 US20100249118
Mcule MCULE-8115329454
Nikkaji J4.982D
NMRShiftDB 10008670
PubChem 7497
PubChem: Thomson Pharma 14747540
SureChEMBL SCHEMBL3114

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