Chem Di Ethanol Amine 2 | Cheminformatics
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2D Structure

Di Ethanol Amine


  • SKU Code: CH138679
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Chemical Name - Di Ethanol Amine
Mol Weight - 105.136
Smiles - OCCNCCO
Property Name Property Value
Mol NameDi Ethanol Amine
Molweight105.136
Monoisotopic Mass105.078979
Clogp-1.4429
Clogs0.245
H Acceptors3
H Donors3
Total Surface Area92.7
Relative Psa0.40626
Polar Surface Area52.49
Druglikeness-0.25466
Mutagenicnone
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Shape Index1
Molecular Flexibility0.71747
Molecular Complexity0.4621
Fragments1
Non H Atoms7
Non Ch Atoms3
Electronegative Atoms3
Rotatable Bonds4
Sp3 Atoms7
Symmetric Atoms3
Amines1
Alkyl Amines1
Basic Nitrogens1
SmilesOCCNCCO
InChIKeyInChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2
InChIZBCBWPMODOFKDW-UHFFFAOYSA-N

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