Chem Amino Ethyl Ethanolamine Lokc | Cheminformatics
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2D Structure

Amino Ethyl Ethanolamine


  • SKU Code: CH141987
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Chemical Name - Amino Ethyl Ethanolamine
Mol Weight - 104.152
Smiles - CCC(CN)(N)O
InChI - UQHRGLKDNKYFBB-UHFFFAOYSA-N
InChIKey - InChI=1S/C4H12N2O/c1-2-4(6,7)3-5/h7H,2-3,5-6H2,1H3
Property Name Property Value
Mol NameAmino Ethyl Ethanolamine
Molweight104.152
Monoisotopic Mass104.094963
Clogp-0.9839
Clogs-0.453
H Acceptors3
H Donors3
Total Surface Area87.08
Relative Psa0.50115
Polar Surface Area72.27
Druglikeness-0.64415
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.71429
Molecular Flexibility0.79827
Molecular Complexity0.73241
Fragments1
Non H Atoms7
Non Ch Atoms3
Electronegative Atoms3
Stereo Centers1
Rotatable Bonds2
Sp3 Atoms7
Amines1
Alkyl Amines1
Basic Nitrogens2
SmilesCCC(CN)(N)O
InChIKeyInChI=1S/C4H12N2O/c1-2-4(6,7)3-5/h7H,2-3,5-6H2,1H3
InChIUQHRGLKDNKYFBB-UHFFFAOYSA-N

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