| ALogP | -0.7 |
|---|
| Canonical Smiles | CC(CO)NC(C)CO |
|---|---|
| IUPAC Name | 2-(1-hydroxypropan-2-ylamino)propan-1-ol |
| InChIKey | WCYGORCMAJDYJN-UHFFFAOYSA-N |
| INCHI | 1S/C6H15NO2/c1-5(3-8)7-6(2)4-9/h5-9H,3-4H2,1-2H3 |
| Isomeric SMILES | CC(CO)NC(C)CO |
| PubChem CID | 40751 |
| Molecular Weight | 133.19 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Amines |
| Intermediate Tree Nodes | Alkanolamines |
| Direct Parent | 1,2-aminoalcohols |
| Alternative Parents | Dialkylamines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | 1,2-aminoalcohol - Secondary amine - Secondary aliphatic amine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom. |
| External Descriptors | Not available |
| Molecular Weight | 133.190 g/mol |
|---|---|
| XLogP3 | -0.700 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 133.11 Da |
| Monoisotopic Mass | 133.11 Da |
| Topological Polar Surface Area | 52.500 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 60.100 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
