Diisopropanolamine

Chemical Information
Diisopropanolamine is a secondary amino compound that is diethanolamine substituted by methyl groups at positions 1 and 1'. It is a versatile chemical used in a variety of personal care, cosmetic and industrial products. It has a role as a surfactant, a buffer and an emulsifier. It is an aminodiol, a secondary alcohol and a secondary amino compound. It is functionally related to a 1-aminopropan-2-ol.
| CAS Number | 110-97-4 |
| PubChem CID | 8086 |
| IUPAC Name | 1-(2-hydroxypropylamino)propan-2-ol |
| Molecular Formula | C6H15NO2 |
| Molecular Weight | 133.19 |
| XLogP | -0.8 |
| Topological Polar Surface Area | 52.5 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 60 |
| Property | Value |
|---|---|
| Molecular Weight | 133.19 |
| XLogP3 | -0.8 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 133.110278721 |
| Monoisotopic Mass | 133.110278721 |
| Topological Polar Surface Area | 52.5 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 60.1 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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